2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2852-4652 |
| Compound Name: | 2,2,2-trichloroethyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 407.64 |
| Molecular Formula: | C15 H13 Cl3 N2 O5 |
| Smiles: | CC1=C(C(c2ccc3c(c2)OCO3)NC(N1)=O)C(=O)OCC([Cl])([Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.729 |
| logD: | 2.5787 |
| logSw: | -3.4992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.936 |
| InChI Key: | XRLZKDZVYAVWNB-LBPRGKRZSA-N |