AB57675
80755-51-7 | 1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl)butan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AB57675
ChemicalName
1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl)butan-1-one
CasNumber
80755-51-7
MolecularFormula
C19H27N5O3
MolecularWeight
373.4494
MdlNumber
MFCD00865793
Smiles
CCCC(=O)N1CCCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC
Complexity
494
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AB57675
ChemicalName: 1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl)butan-1-one
CasNumber: 80755-51-7
MolecularFormula: C19H27N5O3
MolecularWeight: 373.4494
MdlNumber: MFCD00865793
Smiles: CCCC(=O)N1CCCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC
Complexity: 494
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AB57675
ChemicalName:
1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl)butan-1-one
CasNumber:
80755-51-7
MolecularFormula:
C19H27N5O3
MolecularWeight:
373.4494
MdlNumber:
MFCD00865793
Smiles:
CCCC(=O)N1CCCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC
Complexity:
494
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCc1ccc(cc1)n1cccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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Smiles:
ClCc1ccc(cc1)n1cccn1
Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: AB57677
ChemicalName: 1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate
CasNumber: 88606-96-6
MolecularFormula: C21H30FNO7
MolecularWeight: 427.4638
MdlNumber: MFCD08276345
Smiles: OC(=O)C=CC(=O)O.CCCC(=O)c1cc(F)ccc1OCC(CNC(C)(C)C)O
Complexity: 462
Covalently-bondedUnitCount: 2
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 4
RotatableBondCount: 11
Xlogp3: __
CatalogNumber:
AB57677
ChemicalName:
1-(2-(3-(tert-Butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one maleate
CasNumber:
88606-96-6
MolecularFormula:
C21H30FNO7
MolecularWeight:
427.4638
MdlNumber:
MFCD08276345
Smiles:
OC(=O)C=CC(=O)O.CCCC(=O)c1cc(F)ccc1OCC(CNC(C)(C)C)O
Complexity:
462
Covalently-bondedUnitCount:
2
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
4
RotatableBondCount:
11
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1c(F)c(F)c(c(c1C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1c(F)c(F)c(c(c1C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__