5-(1-acetyl-5-phenyl-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-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1156 |
| Compound Name: | 5-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccccc2)N(C(C)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5165 |
| logD: | -1.4662 |
| logSw: | -2.7787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.354 |
| InChI Key: | JOVDPYWAYPNOAM-OAHLLOKOSA-N |