2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-(methylsulfanyl)benzamide
Chemical Structure Depiction of
2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-(methylsulfanyl)benzamide
2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-(methylsulfanyl)benzamide
Compound characteristics
| Compound ID: | Y501-2879 |
| Compound Name: | 2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-(methylsulfanyl)benzamide |
| Molecular Weight: | 390.95 |
| Molecular Formula: | C19 H19 Cl N2 O S2 |
| Smiles: | CSc1ccc(c(c1)C(Nc1c(C#N)c2CCCCCCc2s1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8455 |
| logD: | 2.9005 |
| logSw: | -6.1095 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.432 |
| InChI Key: | OLHPPXIHARVAJV-UHFFFAOYSA-N |