ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7174 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(4-fluorophenyl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 430.45 |
| Molecular Formula: | C21 H19 F N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7701 |
| logD: | 3.5066 |
| logSw: | -3.8854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.896 |
| InChI Key: | CERHCYKACCXTPT-LJQANCHMSA-N |