ethyl 2-[2-({4-butyl-5-[(3,4-dimethylbenzamido)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-[(3,4-dimethylbenzamido)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-[(3,4-dimethylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1213 |
| Compound Name: | ethyl 2-[2-({4-butyl-5-[(3,4-dimethylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 583.77 |
| Molecular Formula: | C29 H37 N5 O4 S2 |
| Smiles: | CCCCn1c(CNC(c2ccc(C)c(C)c2)=O)nnc1SC(C)C(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.745 |
| logD: | 3.4227 |
| logSw: | -5.3711 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.078 |
| InChI Key: | JSAJCURFPBBKSU-IBGZPJMESA-N |