N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-N-ethyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-N-ethyl-4-nitrobenzamide
N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-N-ethyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | V014-0658 |
| Compound Name: | N-(2-{[3-tert-butyl-1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-chloro-N-ethyl-4-nitrobenzamide |
| Molecular Weight: | 552.84 |
| Molecular Formula: | C24 H24 Cl3 N5 O4 |
| Smiles: | CCN(CC(Nc1cc(C(C)(C)C)nn1c1ccc(c(c1)[Cl])[Cl])=O)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2882 |
| logD: | 6.2873 |
| logSw: | -6.3106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.14 |
| InChI Key: | ZAHANGGPPNOLPY-UHFFFAOYSA-N |