3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide
Chemical Structure Depiction of
3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide
3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y500-1196 |
| Compound Name: | 3-(2-chlorophenyl)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)prop-2-enamide |
| Molecular Weight: | 370.9 |
| Molecular Formula: | C20 H19 Cl N2 O S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(/C=C/c1ccccc1[Cl])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.9841 |
| logD: | 3.8977 |
| logSw: | -6.2502 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.218 |
| InChI Key: | ZKNINXREGJHWML-UHFFFAOYSA-N |