ethyl 4-{4-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-{4-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8229 |
| Compound Name: | ethyl 4-{4-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 545.5 |
| Molecular Formula: | C24 H21 F6 N3 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)NC(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0536 |
| logD: | 5.0531 |
| logSw: | -4.7095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.357 |
| InChI Key: | FOEXHLJNVVLJND-LJQANCHMSA-N |