methyl 2-({[3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({[3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-({[3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8011-9845 |
| Compound Name: | methyl 2-({[3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(NC(/C=C\c1ccco1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.864 |
| logD: | 1.9774 |
| logSw: | -4.6654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.995 |
| InChI Key: | IKDOTMJVQQAMPY-UHFFFAOYSA-N |