AI45772
24876-57-1 | Racemic-(3ar,7ar)-1-benzyl-3a-phenylhexahydro-1h-indol-6(2h)-one
Manufacturer: A2B Chem
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CatalogNumber
AI45772
ChemicalName
Racemic-(3ar,7ar)-1-benzyl-3a-phenylhexahydro-1h-indol-6(2h)-one
CasNumber
24876-57-1
MolecularFormula
C21H23NO
MolecularWeight
305.4134
MdlNumber
MFCD28390371
Smiles
O=C1CC[C@]2([C@@H](C1)N(CC2)Cc1ccccc1)c1ccccc1
Complexity
422
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
23
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AI45772
ChemicalName: Racemic-(3ar,7ar)-1-benzyl-3a-phenylhexahydro-1h-indol-6(2h)-one
CasNumber: 24876-57-1
MolecularFormula: C21H23NO
MolecularWeight: 305.4134
MdlNumber: MFCD28390371
Smiles: O=C1CC[C@]2([C@@H](C1)N(CC2)Cc1ccccc1)c1ccccc1
Complexity: 422
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AI45772
ChemicalName:
Racemic-(3ar,7ar)-1-benzyl-3a-phenylhexahydro-1h-indol-6(2h)-one
CasNumber:
24876-57-1
MolecularFormula:
C21H23NO
MolecularWeight:
305.4134
MdlNumber:
MFCD28390371
Smiles:
O=C1CC[C@]2([C@@H](C1)N(CC2)Cc1ccccc1)c1ccccc1
Complexity:
422
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
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Smiles: ClC(=C)CSC(=O)C
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Smiles:
ClC(=C)CSC(=O)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1CCCCC1C1CC1
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Smiles:
O=C1CCCCC1C1CC1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)OC(C)(C)C
Complexity: __
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Smiles:
CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__