5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Chemical Structure Depiction of
5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Compound characteristics
| Compound ID: | 8017-2499 |
| Compound Name: | 5-amino-4-(4-methoxyphenyl)-1,1-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile |
| Molecular Weight: | 461.46 |
| Molecular Formula: | C22 H18 F3 N3 O3 S |
| Smiles: | COc1ccc(cc1)N1C2CCS(C=2C(C(C#N)=C1N)c1ccc(cc1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2326 |
| logD: | 3.2326 |
| logSw: | -3.5594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.564 |
| InChI Key: | INTZUJHZWCOGMH-IBGZPJMESA-N |