AC31621
83621-33-4 | Benzyl 4-oxoazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC31621
ChemicalName
Benzyl 4-oxoazepane-1-carboxylate
CasNumber
83621-33-4
MolecularFormula
C14H17NO3
MolecularWeight
247.2897
MdlNumber
MFCD03788442
Smiles
O=C1CCCN(CC1)C(=O)OCc1ccccc1
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AC31621
ChemicalName: Benzyl 4-oxoazepane-1-carboxylate
CasNumber: 83621-33-4
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD03788442
Smiles: O=C1CCCN(CC1)C(=O)OCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AC31621
ChemicalName:
Benzyl 4-oxoazepane-1-carboxylate
CasNumber:
83621-33-4
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD03788442
Smiles:
O=C1CCCN(CC1)C(=O)OCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.4
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Smiles: OC(=O)CSc1nc(O)cc(n1)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)CSc1nc(O)cc(n1)C(F)(F)F
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCC[C@H](/C=C/C=CCC=CCC=CCCCC(=O)O)O
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Smiles:
CCCCC[C@H](/C=C/C=CCC=CCC=CCCCC(=O)O)O
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O[C@@H]([C@@H](C(=O)O)O)C(=O)O.CCOC(=O)[C@H]1CCCNC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.CCOC(=O)[C@H]1CCCNC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__