2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | Y502-2215 |
| Compound Name: | 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenylethyl)benzamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(NCC(c2ccccc2)O)=O)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3739 |
| logD: | 2.3739 |
| logSw: | -3.1243 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.865 |
| InChI Key: | BNQSQGNWTMIOGL-IBGZPJMESA-N |