5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1150 |
| Compound Name: | 5-[1-acetyl-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 389.39 |
| Molecular Formula: | C16 H15 N5 O5 S |
| Smiles: | CC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8784 |
| logD: | -3.1043 |
| logSw: | -2.2908 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.523 |
| InChI Key: | DFRBNOQCIMORSF-GFCCVEGCSA-N |