AC1NDK1N

N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide

Also Known As: Oprea1_516226|F0508-4256|N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-(piperidin-1-ylsulfonyl)benzamide|N-{[4-phenyl-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide|N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide|p-[({5-[(N-1,3-thiazol-2-ylcarbamoyl)methylthio]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)carbamoyl]phenyl(oxo)piperidino-lambda-sulfaniumolate

Molecular Formula	C26H27N7O4S3
Molecular Weight	597.12866 g/mol
LogP	3.5592
Topological Polar Surface Area	139.18 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	597.12866
Monoisotopic Mass	597.12866
Heavy Atoms	40
Complexity	1551.5365

Chemical Identifiers

CAS Number	392682-71-2
SMILES	C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=NC=CS5