2-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
2-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y503-0647 |
| Compound Name: | 2-(4-bromophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide |
| Molecular Weight: | 502.43 |
| Molecular Formula: | C26 H20 Br N3 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cc(c4ccc(cc4)[Br])nc4ccccc34)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4796 |
| logD: | 6.5244 |
| logSw: | -5.9172 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.16 |
| InChI Key: | YFPZBWVZYJBZPY-OAHLLOKOSA-N |