N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-methylbenzamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | Y508-5675 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-methylbenzamide |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C19 H20 N2 O S |
| Smiles: | Cc1ccc(cc1)C(Nc1c(C#N)c2CCCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0924 |
| logD: | 2.3865 |
| logSw: | -4.8028 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.432 |
| InChI Key: | KJLYIHXZBYGEGT-UHFFFAOYSA-N |