ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-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-{[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-1335 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[(6-methyl-3-oxo-1,3-dihydrofuro[3,4-c]pyridin-4-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 483.5 |
| Molecular Formula: | C23 H21 N3 O7 S |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1c2C(=O)OCc2cc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5978 |
| logD: | 2.4039 |
| logSw: | -3.0235 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.022 |
| InChI Key: | QYTUHELDGVSFSZ-LJQANCHMSA-N |