5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1158 |
| Compound Name: | 5-[1-acetyl-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)OCC)N(C(C)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8812 |
| logD: | -1.1015 |
| logSw: | -3.175 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.478 |
| InChI Key: | WZNWIFJFWUCQFZ-QGZVFWFLSA-N |