AA57105
1381944-66-6 | Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA57105
ChemicalName
Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate
CasNumber
1381944-66-6
MolecularFormula
C17H15F2NO3
MolecularWeight
319.3027
MdlNumber
MFCD22375055
Smiles
CCNC(=O)c1ccc(cc1F)c1cccc(c1F)C(=O)OC
Complexity
432
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.2
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CatalogNumber: AA57105
ChemicalName: Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate
CasNumber: 1381944-66-6
MolecularFormula: C17H15F2NO3
MolecularWeight: 319.3027
MdlNumber: MFCD22375055
Smiles: CCNC(=O)c1ccc(cc1F)c1cccc(c1F)C(=O)OC
Complexity: 432
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AA57105
ChemicalName:
Methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate
CasNumber:
1381944-66-6
MolecularFormula:
C17H15F2NO3
MolecularWeight:
319.3027
MdlNumber:
MFCD22375055
Smiles:
CCNC(=O)c1ccc(cc1F)c1cccc(c1F)C(=O)OC
Complexity:
432
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.2
CatalogNumber: AA57106
ChemicalName: 5-Methoxypyrrolo[3,2-b]pyridin-1-ol
CasNumber: 1381944-65-5
MolecularFormula: C8H8N2O2
MolecularWeight: 164.1613
MdlNumber: MFCD22375045
Smiles: COc1ccc2c(n1)ccn2O
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA57106
ChemicalName:
5-Methoxypyrrolo[3,2-b]pyridin-1-ol
CasNumber:
1381944-65-5
MolecularFormula:
C8H8N2O2
MolecularWeight:
164.1613
MdlNumber:
MFCD22375045
Smiles:
COc1ccc2c(n1)ccn2O
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
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Smiles: OC(=O)[C@H]1CN(C[C@@H]1c1ccccc1Cl)Cc1ccccc1
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Smiles:
OC(=O)[C@H]1CN(C[C@@H]1c1ccccc1Cl)Cc1ccccc1
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Smiles: OC(=O)C1CC(C1)NCc1ccccc1.Cl
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Smiles:
OC(=O)C1CC(C1)NCc1ccccc1.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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