ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-1426 |
| Compound Name: | ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C22 H21 N3 O4 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(NC=1CSc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3562 |
| logD: | 4.1577 |
| logSw: | -4.2 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.406 |
| InChI Key: | ZRFRQICUERWPRW-LJQANCHMSA-N |