N-benzyl-N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-benzyl-N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
N-benzyl-N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V001-2630 |
| Compound Name: | N-benzyl-N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C31 H33 N5 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N(CC(Nc1cc(C(C)(C)C)nn1c1ccccc1C)=O)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2026 |
| logD: | 6.2022 |
| logSw: | -5.4603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.542 |
| InChI Key: | OTUDHWZXBVRZQO-UHFFFAOYSA-N |