methyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-9812 |
| Compound Name: | methyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(c2ccc(cc2)[N+]([O-])=O)=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.523 |
| logD: | 3.5227 |
| logSw: | -3.7929 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.118 |
| InChI Key: | GFULRZNHOOHZCQ-LJQANCHMSA-N |