methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4606 |
| Compound Name: | methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(CSc2nc3ccccc3o2)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.445 |
| logD: | 4.2465 |
| logSw: | -4.287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.864 |
| InChI Key: | MLVBUOJDBOZHRQ-LJQANCHMSA-N |