3-butyl-6-hydroxy-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-6-hydroxy-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1737 |
| Compound Name: | 3-butyl-6-hydroxy-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H23 N5 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[N+]([O-])=O)N(C(CC)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9653 |
| logD: | -1.0174 |
| logSw: | -3.3628 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.74 |
| InChI Key: | BPQUPNVPVKEIRL-OAHLLOKOSA-N |