Bms 906024
(2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
Molecular Identity
Bms 906024
(2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
PubChem CID: 66550890
(2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide is a primary carboxamide, a secondary carboxamide and a tertiary carboxamide.
2D Structure
Properties
C26H26F6N4O3
Molecular Formula
556.50
Molecular Weight
g/mol
556.1909
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
916
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CCC(F)(F)F)C(CCC(F)(F)F)C(=O)N)C3=CC=CC=C3Isomeric SMILES
SMILES: CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=O)N)C3=CC=CC=C3Synonyms(20)
BMS-9060241401066-79-2OsugacestatBMS 906024AL101DRL23N424RAL-101BM0018BM-0018DTXSID30161234BMS906024Butanediamide, N1-((3S)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluorophenyl)-, (2R,3S)-RefChem:120754DTXCID8083725GS/pan-Notch Inhibitor AL101
Data from PubChem (NCBI)
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