N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbutanamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | Y205-0861 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbutanamide |
| Molecular Weight: | 290.43 |
| Molecular Formula: | C16 H22 N2 O S |
| Smiles: | CC(C)CC(Nc1c(C#N)c2CCCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4404 |
| logD: | 2.9392 |
| logSw: | -4.2641 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.49 |
| InChI Key: | RGABKHOBKWUODP-UHFFFAOYSA-N |