N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y503-0061 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(Nc2c(C#N)c3CCCCCCc3s2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.7042 |
| logD: | 5.749 |
| logSw: | -5.8585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.752 |
| InChI Key: | KHZBALONAIRGBF-UHFFFAOYSA-N |