ethyl 2-[3-(2-chlorophenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(2-chlorophenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ethyl 2-[3-(2-chlorophenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5300 |
| Compound Name: | ethyl 2-[3-(2-chlorophenyl)prop-2-enamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 417.95 |
| Molecular Formula: | C22 H24 Cl N O3 S |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(/C=C/c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4465 |
| logD: | 3.3332 |
| logSw: | -6.2141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.916 |
| InChI Key: | KNEUEEUACNKIHI-UHFFFAOYSA-N |