6-hydroxy-3-methyl-5-[5-(4-nitrophenyl)-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-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-5-[5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0512 |
| Compound Name: | 6-hydroxy-3-methyl-5-[5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C14 H13 N5 O4 S |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[N+]([O-])=O)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0382 |
| logD: | -3.141 |
| logSw: | -2.2801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.228 |
| InChI Key: | KKGDHPBSYNNGRV-SECBINFHSA-N |