AC1MGGEK

2-chloro-N-[3-methyl-1-[5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]butyl]benzamide

Also Known As: 2-chloro-N-[3-methyl-1-[5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]butyl]benzamide|N-{1-[4-allyl-5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]-3-methylbutyl}-2-chlorobenzamide|2-Chloro-N-{3-methyl-1-[5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]butyl}benzamide

Molecular Formula	C29H31ClN6O2S2
Molecular Weight	594.1638 g/mol
LogP	6.79742
Topological Polar Surface Area	101.8 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	12
Exact Mass	594.1638
Monoisotopic Mass	594.1638
Heavy Atoms	40
Complexity	1484.928

Chemical Identifiers

CAS Number	4493-27-0
SMILES	CC1=C(N=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C(CC(C)C)NC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4