N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | 3366-9459 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C28 H25 N3 O S |
| Smiles: | Cc1ccc(cc1)c1cc(C(Nc2c(C#N)c3CCCCCCc3s2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.627 |
| logD: | 6.6718 |
| logSw: | -5.7976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.491 |
| InChI Key: | XJQOWIGHWWMQBT-UHFFFAOYSA-N |