ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7173 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CN1CCSCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8173 |
| logD: | 1.8173 |
| logSw: | -2.6905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.9 |
| InChI Key: | GSHAQNLOTQWYDL-QGZVFWFLSA-N |