BMS-817399
1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
Molecular Identity
BMS-817399
1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
PubChem CID: 44537841
2D Structure
Properties
C23H36ClN3O4
Molecular Formula
454.00
Molecular Weight
g/mol
453.2394
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
647
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
BMS-8173991202400-18-7AKQ3X6FEH0Urea, N-((1R)-1-(((4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl)carbonyl)-2-methylpropyl)-N'-(2-hydroxy-2-methylpropyl)-1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea1-((2R)-1-((4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl)-3-(2-hydroxy-2-methylpropyl)ureaRefChem:120746UNII-AKQ3X6FEH0CHEMBL3334824orb1700997SCHEMBL1604247GLXC-08031BDBM50056504EX-A14911AKOS040748018
Data from PubChem (NCBI)
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