AI30802
1341038-86-5 | 2-Benzyl-4-cyano-2,8-diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI30802
ChemicalName
2-Benzyl-4-cyano-2,8-diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CasNumber
1341038-86-5
MolecularFormula
C21H29N3O2
MolecularWeight
355.4739
MdlNumber
MFCD21362277
Smiles
N#CC1CN(CC21CCN(CC2)C(=O)OC(C)(C)C)Cc1ccccc1
Complexity
545
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AI30802
ChemicalName: 2-Benzyl-4-cyano-2,8-diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CasNumber: 1341038-86-5
MolecularFormula: C21H29N3O2
MolecularWeight: 355.4739
MdlNumber: MFCD21362277
Smiles: N#CC1CN(CC21CCN(CC2)C(=O)OC(C)(C)C)Cc1ccccc1
Complexity: 545
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AI30802
ChemicalName:
2-Benzyl-4-cyano-2,8-diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CasNumber:
1341038-86-5
MolecularFormula:
C21H29N3O2
MolecularWeight:
355.4739
MdlNumber:
MFCD21362277
Smiles:
N#CC1CN(CC21CCN(CC2)C(=O)OC(C)(C)C)Cc1ccccc1
Complexity:
545
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.7
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Smiles: OCC1Cn2nnc(c2CN1C(=O)OC(C)(C)C)c1cocc1
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Smiles:
OCC1Cn2nnc(c2CN1C(=O)OC(C)(C)C)c1cocc1
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Smiles: O=C1Nc2c(C31CCOCC3)cc(cn2)Br
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Smiles:
O=C1Nc2c(C31CCOCC3)cc(cn2)Br
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Smiles: O=C(N[C@H]1CN([C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: __
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N[C@H]1CN([C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__