methyl 1-ethyl-6-methyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-6-methyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-6-methyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-4244 |
| Compound Name: | methyl 1-ethyl-6-methyl-4-(4-{[4-(propan-2-yl)phenyl]carbamamido}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(Nc2ccc(cc2)C(C)C)=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3655 |
| logD: | 5.3655 |
| logSw: | -5.2979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.949 |
| InChI Key: | AHMRLNOLSFDLCJ-JOCHJYFZSA-N |