ethyl 2-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0493 |
| Compound Name: | ethyl 2-(2-{[5-{[(furan-2-carbonyl)amino]methyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 610.67 |
| Molecular Formula: | C27 H26 N6 O7 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2ccco2)=O)n1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7678 |
| logD: | 1.8077 |
| logSw: | -4.1664 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 135.952 |
| InChI Key: | GURPTNBCPFPALI-UHFFFAOYSA-N |