AA57770
138401-24-8 | 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA57770
ChemicalName
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile
CasNumber
138401-24-8
MolecularFormula
C25H27N3O
MolecularWeight
385.5014
MdlNumber
MFCD06658242
Smiles
CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1C#N)CCCC2
Complexity
661
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
3
RotatableBondCount
6
Xlogp3
4.7
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CatalogNumber: AA57770
ChemicalName: 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile
CasNumber: 138401-24-8
MolecularFormula: C25H27N3O
MolecularWeight: 385.5014
MdlNumber: MFCD06658242
Smiles: CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1C#N)CCCC2
Complexity: 661
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 4.7
CatalogNumber:
AA57770
ChemicalName:
4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile
CasNumber:
138401-24-8
MolecularFormula:
C25H27N3O
MolecularWeight:
385.5014
MdlNumber:
MFCD06658242
Smiles:
CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1C#N)CCCC2
Complexity:
661
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
4.7
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Smiles: COC(=O)C1(CCC(=O)CC1)c1cccc(c1)C(F)(F)F
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COC(=O)C1(CCC(=O)CC1)c1cccc(c1)C(F)(F)F
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Smiles: COc1ccc2c(c1)ccc(c2)C(C(=O)Oc1cccc2c1cccc2)C
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COc1ccc2c(c1)ccc(c2)C(C(=O)Oc1cccc2c1cccc2)C
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Smiles: O=C1CCC(CC1)(C(=O)O)c1ccccc1Cl
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Smiles:
O=C1CCC(CC1)(C(=O)O)c1ccccc1Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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