C25H32N4O3S

(1S,9S)-N-[(2S)-1-(3,5-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Also Known As: (1R,5R)-N-((S)-1-((3,5-dimethylphenyl)amino)-4-(methylthio)-1-oxobutan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide|(1S,5S)-N-[(2S)-1-[(3,5-dimethylphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide

Molecular Formula	C25H32N4O3S
Molecular Weight	468.2195 g/mol
LogP	3.35424
Topological Polar Surface Area	83.44 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	468.2195
Monoisotopic Mass	468.2195
Heavy Atoms	33
Complexity	1079.0499

Chemical Identifiers

CAS Number	956325-73-8
SMILES	CC1=CC(=CC(=C1)NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C