AC1NQ41R

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

Also Known As: Oprea1_634004|O-[(4-ethoxyphenyl)methyl]hydroxylamine hydrochloride|F0772-0584|N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide|N-((4-(2,3-dimethylphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide|N-{[4-(2,3-Dimethylphenyl)-5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide

Molecular Formula	C27H29N7O5S3
Molecular Weight	627.1392 g/mol
LogP	3.02234
Topological Polar Surface Area	148.41 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	10
Exact Mass	627.1392
Monoisotopic Mass	627.1392
Heavy Atoms	42
Complexity	1666.5406

Chemical Identifiers

CAS Number	6261-77-4
SMILES	CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5)C