6-hydroxy-1,3-dimethyl-5-[5-(3-nitrophenyl)-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-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-1,3-dimethyl-5-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0485 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-5-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 361.38 |
| Molecular Formula: | C15 H15 N5 O4 S |
| Smiles: | CN1C(=C(C2CC(c3cccc(c3)[N+]([O-])=O)NN=2)C(N(C)C1=S)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.806 |
| logD: | -2.5503 |
| logSw: | -2.2341 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.607 |
| InChI Key: | GYJDOTZFGZTTRA-SNVBAGLBSA-N |