methyl 2-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-1336 |
| Compound Name: | methyl 2-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C16 H20 N4 O3 S2 |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4405 |
| logD: | 0.3893 |
| logSw: | -2.6733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.761 |
| InChI Key: | AKSPZQGNEKAYTG-UHFFFAOYSA-N |