AA57766
138402-11-6 | Irbesartan
Manufacturer: A2B Chem
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CatalogNumber
AA57766
ChemicalName
Irbesartan
CasNumber
138402-11-6
MolecularFormula
C25H28N6O
MolecularWeight
428.52941999999985
MdlNumber
MFCD00864464
Smiles
CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)CCCC2
NscNumber
758696
Complexity
682
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
4.1
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CatalogNumber: AA57766
ChemicalName: Irbesartan
CasNumber: 138402-11-6
MolecularFormula: C25H28N6O
MolecularWeight: 428.52941999999985
MdlNumber: MFCD00864464
Smiles: CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)CCCC2
NscNumber: 758696
Complexity: 682
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 4.1
CatalogNumber:
AA57766
ChemicalName:
Irbesartan
CasNumber:
138402-11-6
MolecularFormula:
C25H28N6O
MolecularWeight:
428.52941999999985
MdlNumber:
MFCD00864464
Smiles:
CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)CCCC2
NscNumber:
758696
Complexity:
682
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CCCC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CCCC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC1=NC2(C(=O)N1)CCCC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC1=NC2(C(=O)N1)CCCC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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
NscNumber: __
Complexity: 661
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
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
NscNumber:
__
Complexity:
661
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
4.7