AI60541
904687-01-0 | Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI60541
ChemicalName
Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber
904687-01-0
MolecularFormula
C15H18N2O2
MolecularWeight
258.3156
MdlNumber
MFCD22574970
Smiles
COC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AI60541
ChemicalName: Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber: 904687-01-0
MolecularFormula: C15H18N2O2
MolecularWeight: 258.3156
MdlNumber: MFCD22574970
Smiles: COC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AI60541
ChemicalName:
Methyl 1-cyclopentyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber:
904687-01-0
MolecularFormula:
C15H18N2O2
MolecularWeight:
258.3156
MdlNumber:
MFCD22574970
Smiles:
COC(=O)c1ccc2c(c1)nc(n2C1CCCC1)C
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.9
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MolecularFormula: __
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Smiles: COC(c1ccccc1F)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(c1ccccc1F)OC
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O[C@@H](C[N+](C)(C)C)CC(=O)O.[O-]C(=O)/C=C/C(=O)O
Complexity: __
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MolecularFormula:
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Smiles:
O[C@@H](C[N+](C)(C)C)CC(=O)O.[O-]C(=O)/C=C/C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: OCc1cnc(c(c1)Br)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCc1cnc(c(c1)Br)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__