6-hydroxy-3-methyl-5-[5-(3-nitrophenyl)-1-propanoyl-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-(3-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-5-[5-(3-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1710 |
| Compound Name: | 6-hydroxy-3-methyl-5-[5-(3-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C17 H17 N5 O5 S |
| Smiles: | CCC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4057 |
| logD: | -2.5769 |
| logSw: | -2.3865 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.528 |
| InChI Key: | XYGWGUZWNWBLOF-GFCCVEGCSA-N |