methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4622 |
| Compound Name: | methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,4-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1ccc(C2C(=C(CSc3nc4ccccc4o3)NC(N2)=O)C(=O)OC)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.577 |
| logD: | 4.3784 |
| logSw: | -4.3825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.864 |
| InChI Key: | ADCMTBQXJGVCBE-LJQANCHMSA-N |