propan-2-yl 1-ethyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-8293 |
| Compound Name: | propan-2-yl 1-ethyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8314 |
| logD: | 4.8288 |
| logSw: | -4.5713 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.076 |
| InChI Key: | BOALMJOFYQENOQ-JOCHJYFZSA-N |