methyl 2-[3-(4-methylphenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(4-methylphenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[3-(4-methylphenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9056 |
| Compound Name: | methyl 2-[3-(4-methylphenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C22 H25 N O3 S |
| Smiles: | Cc1ccc(/C=C/C(Nc2c(C(=O)OC)c3CCCCCCc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.957 |
| logD: | 3.7806 |
| logSw: | -5.542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.336 |
| InChI Key: | HFYGQPXZSQCOHG-UHFFFAOYSA-N |