ethyl 6-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-1485 |
| Compound Name: | ethyl 6-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-4-(2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C19 H19 N5 O6 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSC1NC(C=C(N)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7166 |
| logD: | 0.5802 |
| logSw: | -2.3393 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 128.61 |
| InChI Key: | SERWYQFBOORPLN-MRXNPFEDSA-N |