prop-2-en-1-yl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
prop-2-en-1-yl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4428-0437 |
| Compound Name: | prop-2-en-1-yl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)c1c(cn(c2ccccc2)n1)C1C(=C(C)NC(N1)=S)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3175 |
| logD: | 4.31 |
| logSw: | -4.1226 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.478 |
| InChI Key: | GFHBSOUEJILPIL-XMMPIXPASA-N |