AI63197
944722-26-3 | 1-Cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI63197
ChemicalName
1-Cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylic acid
CasNumber
944722-26-3
MolecularFormula
C14H16N2O2
MolecularWeight
244.289
MdlNumber
MFCD11539608
Smiles
OC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AI63197
ChemicalName: 1-Cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylic acid
CasNumber: 944722-26-3
MolecularFormula: C14H16N2O2
MolecularWeight: 244.289
MdlNumber: MFCD11539608
Smiles: OC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AI63197
ChemicalName:
1-Cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylic acid
CasNumber:
944722-26-3
MolecularFormula:
C14H16N2O2
MolecularWeight:
244.289
MdlNumber:
MFCD11539608
Smiles:
OC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AI63198
ChemicalName: 4(3H)-Quinazolinone, 5-fluoro-7-methoxy-
CasNumber: 944742-29-4
MolecularFormula: C9H7FN2O2
MolecularWeight: 194.16248319999997
MdlNumber: MFCD13191851
Smiles: COc1cc2nc[nH]c(=O)c2c(c1)F
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AI63198
ChemicalName:
4(3H)-Quinazolinone, 5-fluoro-7-methoxy-
CasNumber:
944742-29-4
MolecularFormula:
C9H7FN2O2
MolecularWeight:
194.16248319999997
MdlNumber:
MFCD13191851
Smiles:
COc1cc2nc[nH]c(=O)c2c(c1)F
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
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Smiles: CC1CCCc2c1c1c(N)ncnc1s2
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CC1CCCc2c1c1c(N)ncnc1s2
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Smiles: CCNC(=O)c1ccc(cn1)B(O)O
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CCNC(=O)c1ccc(cn1)B(O)O
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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