4-{[(2-hydroxy-2-phenylethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[(2-hydroxy-2-phenylethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[(2-hydroxy-2-phenylethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3536-0008 |
| Compound Name: | 4-{[(2-hydroxy-2-phenylethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C19 H18 N4 O4 |
| Smiles: | CC1\C(=C/NCC(c2ccccc2)O)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8023 |
| logD: | 1.8022 |
| logSw: | -2.276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.253 |
| InChI Key: | WKSGVWWQEIKBOW-SFHVURJKSA-N |