AC1NDPFM

ethyl 2-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Also Known As: Oprea1_049724|SR-01000566547-1|ethyl 2-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate|F0520-0097|ethyl 2-(2-((5-((4-methoxybenzamido)methyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Molecular Formula	C29H28N6O7S2
Molecular Weight	636.1461 g/mol
LogP	4.5718
Topological Polar Surface Area	167.58 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	636.1461
Monoisotopic Mass	636.1461
Heavy Atoms	44
Complexity	1700.1965

Chemical Identifiers

CAS Number	393847-85-3
SMILES	CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)C5=CC=C(C=C5)OC