AE45703
1430839-87-4 | 2-Amino-4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE45703
ChemicalName
2-Amino-4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CasNumber
1430839-87-4
MolecularFormula
C13H18FN3O2
MolecularWeight
267.2993
MdlNumber
MFCD15501926
Smiles
CN1CCCN(CC1)c1cc(C(=O)O)c(cc1F)N
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.6
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CatalogNumber: AE45703
ChemicalName: 2-Amino-4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CasNumber: 1430839-87-4
MolecularFormula: C13H18FN3O2
MolecularWeight: 267.2993
MdlNumber: MFCD15501926
Smiles: CN1CCCN(CC1)c1cc(C(=O)O)c(cc1F)N
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AE45703
ChemicalName:
2-Amino-4-fluoro-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CasNumber:
1430839-87-4
MolecularFormula:
C13H18FN3O2
MolecularWeight:
267.2993
MdlNumber:
MFCD15501926
Smiles:
CN1CCCN(CC1)c1cc(C(=O)O)c(cc1F)N
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(F)cc(c1N)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(F)cc(c1N)C(=O)O
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(n1)N)C(=O)O.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(c(n1)N)C(=O)O.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AE45706
ChemicalName: 2-Amino-7-(boc-methyl-amino)-5-fluoro-1h-indole-3-carboxylic acid ethyl ester
CasNumber: 1400808-16-3
MolecularFormula: C17H22FN3O4
MolecularWeight: 351.3727
MdlNumber: MFCD28098117
Smiles: CCOC(=O)c1c(N)[nH]c2c1cc(F)cc2N(C(=O)OC(C)(C)C)C
Complexity: 511
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 3.3
CatalogNumber:
AE45706
ChemicalName:
2-Amino-7-(boc-methyl-amino)-5-fluoro-1h-indole-3-carboxylic acid ethyl ester
CasNumber:
1400808-16-3
MolecularFormula:
C17H22FN3O4
MolecularWeight:
351.3727
MdlNumber:
MFCD28098117
Smiles:
CCOC(=O)c1c(N)[nH]c2c1cc(F)cc2N(C(=O)OC(C)(C)C)C
Complexity:
511
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
3.3