methyl 2-(2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-(2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-8359 |
| Compound Name: | methyl 2-(2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C22 H25 N5 O4 S2 |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(CSc1nnnn1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3991 |
| logD: | 2.4124 |
| logSw: | -4.416 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.588 |
| InChI Key: | FHFDXZKATKBDHF-UHFFFAOYSA-N |