N-benzyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-benzyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-fluorobenzamide
N-benzyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V015-1226 |
| Compound Name: | N-benzyl-N-(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-fluorobenzamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C31 H33 F N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c(cc(C(C)(C)C)n1)NC(CN(Cc1ccccc1)C(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6827 |
| logD: | 6.6824 |
| logSw: | -5.5812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.461 |
| InChI Key: | POVGKESKGIMSCU-UHFFFAOYSA-N |