3-bromo-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentylbenzamide
Chemical Structure Depiction of
3-bromo-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentylbenzamide
3-bromo-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentylbenzamide
Compound characteristics
| Compound ID: | V013-6219 |
| Compound Name: | 3-bromo-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentylbenzamide |
| Molecular Weight: | 553.54 |
| Molecular Formula: | C29 H37 Br N4 O2 |
| Smiles: | CCCCCN(CC(Nc1cc(C(C)(C)C)nn1c1ccc(C)cc1C)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 8.0167 |
| logD: | 8.0164 |
| logSw: | -5.5253 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.711 |
| InChI Key: | NYAHRYHWIWCBLM-UHFFFAOYSA-N |