6-hydroxy-3-methyl-5-{5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-3-methyl-5-{5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-5-{5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0502 |
| Compound Name: | 6-hydroxy-3-methyl-5-{5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C17 H20 N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(C2=C(NC(N(C)C2=O)=S)O)=NN1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4507 |
| logD: | -1.7285 |
| logSw: | -2.8536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.846 |
| InChI Key: | LIGVBAPNVLHWQV-GFCCVEGCSA-N |