N-butyl-2-chloro-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamide
Chemical Structure Depiction of
N-butyl-2-chloro-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamide
N-butyl-2-chloro-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V009-9639 |
| Compound Name: | N-butyl-2-chloro-N-(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)benzamide |
| Molecular Weight: | 515.06 |
| Molecular Formula: | C30 H31 Cl N4 O2 |
| Smiles: | CCCCN(CC(Nc1c(c2ccccc2)c(C)nn1c1ccc(C)cc1)=O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0963 |
| logD: | 6.0963 |
| logSw: | -5.9491 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.396 |
| InChI Key: | ATCOUMGTHRYSAF-UHFFFAOYSA-N |