N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y204-0497 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | COc1ccc(CC(Nc2c(C#N)c3CCCCCCc3s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1496 |
| logD: | 2.4224 |
| logSw: | -4.4556 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.479 |
| InChI Key: | VBOMDMQMASCHTI-UHFFFAOYSA-N |