ethyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8020-4971 |
| Compound Name: | ethyl 6-{[(4-bromophenyl)sulfanyl]methyl}-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 475.4 |
| Molecular Formula: | C22 H23 Br N2 O3 S |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CSc1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5614 |
| logD: | 5.2978 |
| logSw: | -5.269 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.781 |
| InChI Key: | LAZZBALFNMYKEE-HXUWFJFHSA-N |