N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-(2-phenylethyl)benzamide
N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | V024-8895 |
| Compound Name: | N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitro-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C31 H33 N5 O4 |
| Smiles: | Cc1ccccc1n1c(cc(C(C)(C)C)n1)NC(CN(CCc1ccccc1)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0504 |
| logD: | 6.05 |
| logSw: | -5.483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.821 |
| InChI Key: | XWYWAJMUZOKTOP-UHFFFAOYSA-N |