6-hydroxy-1,3-dimethyl-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
6-hydroxy-1,3-dimethyl-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-1,3-dimethyl-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: | D364-1667 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-5-[5-(4-nitrophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C18 H19 N5 O5 S |
| Smiles: | CCC(N1C(CC(C2=C(N(C)C(N(C)C2=O)=S)O)=N1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3662 |
| logD: | -1.7937 |
| logSw: | -2.1101 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.906 |
| InChI Key: | OLCCIUSILARRNW-CYBMUJFWSA-N |