methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4896-2790 |
| Compound Name: | methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 340.78 |
| Molecular Formula: | C14 H13 Cl N2 O4 S |
| Smiles: | CC1=C(C(c2cc3c(cc2[Cl])OCO3)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.378 |
| logD: | 2.3669 |
| logSw: | -3.1506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.964 |
| InChI Key: | JVFMMYAMYNQGCQ-LBPRGKRZSA-N |