ethyl 1,6-dimethyl-4-[3-(3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1,6-dimethyl-4-[3-(3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1,6-dimethyl-4-[3-(3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V013-3927 |
| Compound Name: | ethyl 1,6-dimethyl-4-[3-(3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)NC(c2cccc(c2)[N+]([O-])=O)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4459 |
| logD: | 3.4438 |
| logSw: | -3.7825 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.739 |
| InChI Key: | JCOUKNDLSLJDMK-LJQANCHMSA-N |