5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0504 |
| Compound Name: | 5-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 336.8 |
| Molecular Formula: | C14 H13 Cl N4 O2 S |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[Cl])NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7073 |
| logD: | -2.472 |
| logSw: | -2.984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.846 |
| InChI Key: | WTMBSDUKEKTDGQ-VIFPVBQESA-N |