ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-8276 |
| Compound Name: | ethyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C23 H23 N3 O3 S2 |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CSc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4197 |
| logD: | 5.2211 |
| logSw: | -5.2415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.862 |
| InChI Key: | ADZIFSDZYDYNQJ-HXUWFJFHSA-N |