propan-2-yl 4-(4-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-(4-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-(4-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V001-6413 |
| Compound Name: | propan-2-yl 4-(4-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}phenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 574.54 |
| Molecular Formula: | C25 H24 F6 N4 O3 S |
| Smiles: | CC(C)OC(C1C(c2ccc(cc2)NC(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4942 |
| logD: | 6.478 |
| logSw: | -5.716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.248 |
| InChI Key: | WYNVNSMCQNKUKE-HXUWFJFHSA-N |