ethyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4428-0129 |
| Compound Name: | ethyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 497.41 |
| Molecular Formula: | C23 H21 Br N4 O2 S |
| Smiles: | CCOC(C1C(c2cn(c3ccccc3)nc2c2ccc(cc2)[Br])NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.778 |
| logD: | 4.7646 |
| logSw: | -4.4044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.061 |
| InChI Key: | PCZHEPRXIHOEPR-NRFANRHFSA-N |