ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1138 |
| Compound Name: | ethyl 2-{2-[(4-butyl-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C25 H31 N5 O5 S2 |
| Smiles: | CCCCn1c(CNC(c2ccco2)=O)nnc1SC(C)C(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9156 |
| logD: | 1.5934 |
| logSw: | -4.0308 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.656 |
| InChI Key: | QQGDGNSKDYGHBP-HNNXBMFYSA-N |