ethyl 2-{2-[(4-butyl-5-{[(thiophene-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-{[(thiophene-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-{[(thiophene-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: | K403-1084 |
| Compound Name: | ethyl 2-{2-[(4-butyl-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 561.74 |
| Molecular Formula: | C25 H31 N5 O4 S3 |
| Smiles: | CCCCn1c(CNC(c2cccs2)=O)nnc1SC(C)C(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.594 |
| logD: | 2.2717 |
| logSw: | -4.2397 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.096 |
| InChI Key: | XUHACFOOPSCZBC-HNNXBMFYSA-N |