ethyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y500-0119 |
| Compound Name: | ethyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C17 H18 N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)N(C(C)=O)C(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3473 |
| logD: | 0.3893 |
| logSw: | -2.9704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.688 |
| InChI Key: | INGGXEUHXVIQPW-HNNXBMFYSA-N |