ethyl 2-[2-({4-cyclohexyl-5-[(3,4-dimethylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({4-cyclohexyl-5-[(3,4-dimethylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({4-cyclohexyl-5-[(3,4-dimethylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0646 |
| Compound Name: | ethyl 2-[2-({4-cyclohexyl-5-[(3,4-dimethylbenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 595.78 |
| Molecular Formula: | C30 H37 N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2ccc(C)c(C)c2)=O)n1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5594 |
| logD: | 3.4877 |
| logSw: | -5.3048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.191 |
| InChI Key: | HBFSBUPTXFDCQW-UHFFFAOYSA-N |