methyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4612 |
| Compound Name: | methyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 461.38 |
| Molecular Formula: | C21 H21 Br N2 O3 S |
| Smiles: | Cc1ccc(C)c(c1)C1C(=C(CSc2ccc(cc2)[Br])NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1208 |
| logD: | 4.8573 |
| logSw: | -4.9209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.201 |
| InChI Key: | VVPJHOSLYIVYAR-LJQANCHMSA-N |