AB16841
189333-46-8 | 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB16841
ChemicalName
9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
CasNumber
189333-46-8
MolecularFormula
C18H18N4O2
MolecularWeight
322.3611
MdlNumber
MFCD16619275
Smiles
N#CC1C(=O)NC(=O)C(C21CCN(CC2)Cc1ccccc1)C#N
Complexity
575
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.1
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CatalogNumber: AB16841
ChemicalName: 9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
CasNumber: 189333-46-8
MolecularFormula: C18H18N4O2
MolecularWeight: 322.3611
MdlNumber: MFCD16619275
Smiles: N#CC1C(=O)NC(=O)C(C21CCN(CC2)Cc1ccccc1)C#N
Complexity: 575
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.1
CatalogNumber:
AB16841
ChemicalName:
9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
CasNumber:
189333-46-8
MolecularFormula:
C18H18N4O2
MolecularWeight:
322.3611
MdlNumber:
MFCD16619275
Smiles:
N#CC1C(=O)NC(=O)C(C21CCN(CC2)Cc1ccccc1)C#N
Complexity:
575
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.1
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Smiles: O=C(N1CCC2(CC1)CCC(=O)C=C2)OCc1ccccc1
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Smiles:
O=C(N1CCC2(CC1)CCC(=O)C=C2)OCc1ccccc1
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(N1CCCC2(C1)CCNCC2)OC(C)(C)C
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__
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Smiles:
O=C(N1CCCC2(C1)CCNCC2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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Smiles: Brc1cnn(c1)[Si](C)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnn(c1)[Si](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__