ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7934 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-{[4-(trifluoromethyl)anilino]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 463.41 |
| Molecular Formula: | C22 H20 F3 N3 O5 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CNc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9534 |
| logD: | 3.7167 |
| logSw: | -4.0876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.402 |
| InChI Key: | KZPDINQUHLXOPD-LJQANCHMSA-N |