ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-4663 |
| Compound Name: | ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C22 H18 F3 N3 O3 S2 |
| Smiles: | CCOC(C1C(c2ccccc2C(F)(F)F)NC(NC=1CSc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.326 |
| logD: | 5.1274 |
| logSw: | -5.2314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.862 |
| InChI Key: | KIDAGYYONVUCSS-GOSISDBHSA-N |