N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-(2-phenylethyl)benzamide
N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | V001-8467 |
| Compound Name: | N-(2-{[3-tert-butyl-1-(2-methylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 574.08 |
| Molecular Formula: | C31 H32 Cl N5 O4 |
| Smiles: | Cc1ccccc1n1c(cc(C(C)(C)C)n1)NC(CN(CCc1ccccc1)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6233 |
| logD: | 6.623 |
| logSw: | -6.194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.821 |
| InChI Key: | GJRAWSJEOFOBDN-UHFFFAOYSA-N |