AC1ND3EJ

N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

Also Known As: F0721-0802|N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl]-4-(pyrrolidine-1-sulfonyl)benzamide|N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide|N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

Molecular Formula	C31H32N6O4S2
Molecular Weight	616.1926 g/mol
LogP	3.97162
Topological Polar Surface Area	117.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	616.1926
Monoisotopic Mass	616.1926
Heavy Atoms	43
Complexity	1765.0226

Chemical Identifiers

CAS Number	310449-16-2
SMILES	CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCC6