ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-8804 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C19 H20 N4 O5 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1nccn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0007 |
| logD: | 1.7857 |
| logSw: | -2.8583 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.815 |
| InChI Key: | VCYIRDGPLDVARI-MRXNPFEDSA-N |