ethyl 4-[3-(2-bromobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-bromobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-[3-(2-bromobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V013-3950 |
| Compound Name: | ethyl 4-[3-(2-bromobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 488.4 |
| Molecular Formula: | C22 H22 Br N3 O3 S |
| Smiles: | CCOC(C1C(c2cccc(c2)NC(c2ccccc2[Br])=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8093 |
| logD: | 3.808 |
| logSw: | -3.9879 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.357 |
| InChI Key: | ZTNHSSKWRXKXHS-IBGZPJMESA-N |