methyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4433 |
| Compound Name: | methyl 6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | Cc1ccccc1C1C(=C(CSc2nccn2C)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0302 |
| logD: | 1.8153 |
| logSw: | -2.4644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.12 |
| InChI Key: | GFIQJMFJKAOZSS-OAHLLOKOSA-N |