N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | 3366-4189 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C26 H21 N3 O S |
| Smiles: | Cc1ccc(cc1)c1cc(C(Nc2c(C#N)c3CCCCc3s2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6351 |
| logD: | 5.6799 |
| logSw: | -5.8044 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.16 |
| InChI Key: | JLAODTGBEBKSJB-UHFFFAOYSA-N |