methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4512 |
| Compound Name: | methyl 6-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C21 H19 N3 O5 S |
| Smiles: | COC(C1C(c2ccc(cc2)OC)NC(NC=1CSc1nc2ccccc2o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3816 |
| logD: | 3.1831 |
| logSw: | -3.7142 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.408 |
| InChI Key: | VVZAJUBMAZQXDB-GOSISDBHSA-N |