ethyl 2-{2-[(4-cyclohexyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-cyclohexyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-cyclohexyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0452 |
| Compound Name: | ethyl 2-{2-[(4-cyclohexyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 601.81 |
| Molecular Formula: | C28 H35 N5 O4 S3 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3146 |
| logD: | 3.2633 |
| logSw: | -5.1112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.174 |
| InChI Key: | MPWCTAJAUOXZMQ-UHFFFAOYSA-N |