Ibipinabant
(4S)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
Molecular Identity
Ibipinabant
(4S)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
PubChem CID: 9826744
2D Structure
Properties
C23H20Cl2N4O2S
Molecular Formula
487.40
Molecular Weight
g/mol
486.0684
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
82.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
791
Complexity
SMILES
Canonical SMILES
SMILES: CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Isomeric SMILES
SMILES: CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2C[C@@H](C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Synonyms(20)
Ibipinabant464213-10-3BMS-646256O5CSC6WH1TDTXSID70963572(4S)-3-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboximidamideibipinabantumRefChem:789638DTXCID501391318(4S)-N'-(4-chlorobenzenesulfonyl)-3-(4-chlorophenyl)-N-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamideSLV-319CHEMBL412262(S)-SLV 319C23H20Cl2N4O2S(4S)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
Data from PubChem (NCBI)
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