methyl 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
methyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 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: | 8020-4613 |
| Compound Name: | methyl 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C22 H21 N3 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(CSc2nc3ccccc3s2)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9791 |
| logD: | 4.7806 |
| logSw: | -4.6244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.282 |
| InChI Key: | INOXEDVKZMHYCF-LJQANCHMSA-N |