7-chloro-1-(3-fluoro-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-chloro-1-(3-fluoro-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-chloro-1-(3-fluoro-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C201-0071 |
| Compound Name: | 7-chloro-1-(3-fluoro-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 504.93 |
| Molecular Formula: | C25 H17 Cl F4 N2 O S |
| Smiles: | Cc1ccc(cc1F)N1C(c2ccc(cc2)C(F)(F)F)NC(C2Cc3cc(ccc3OC1=2)[Cl])=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7299 |
| logD: | 7.7286 |
| logSw: | -6.7596 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.6957 |
| InChI Key: | RTKHRSQIBFPQOL-JOCHJYFZSA-N |