ethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4896-3497 |
| Compound Name: | ethyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 354.81 |
| Molecular Formula: | C15 H15 Cl N2 O4 S |
| Smiles: | CCOC(C1C(c2cc3c(cc2[Cl])OCO3)NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8185 |
| logD: | 2.8075 |
| logSw: | -3.2829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.543 |
| InChI Key: | GKYPGWIYYMMLSM-ZDUSSCGKSA-N |