AC1M323C

N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

Molecular Formula	C25H28N6O3S2
Molecular Weight	524.16644 g/mol
LogP	3.70828
Topological Polar Surface Area	121.93 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	524.16644
Monoisotopic Mass	524.16644
Heavy Atoms	36
Complexity	1276.188

Chemical Identifiers

CAS Number	701282-87-3
SMILES	CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)CC4=CC=C(C=C4)OC