AC1N32GI
ethyl 2-[[2-[[4-(4-fluorophenyl)-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: Oprea1_025954|SR-01000566632-1|ethyl 2-(2-{[4-(4-fluorophenyl)-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate|F0520-0462|ethyl 2-(2-((4-(4-fluorophenyl)-5-((4-methyl-3-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-[[2-[[4-(4-fluorophenyl)-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C29H27FN6O6S2 |
|---|---|
| Molecular Weight | 638.1417 g/mol |
| LogP | 5.01072 |
| Topological Polar Surface Area | 158.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 638.1417 |
| Monoisotopic Mass | 638.1417 |
| Heavy Atoms | 44 |
| Complexity | 1753.5475 |
Chemical Identifiers
| CAS Number | 393849-75-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-] |
Product Overview
AC1N32GI (CAS 393849-75-7), with molecular formula C29H27FN6O6S2 and molecular weight 638.1417 g/mol. IUPAC: ethyl 2-[[2-[[4-(4-fluorophenyl)-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.