N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea
Chemical Structure Depiction of
N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea
N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea
Compound characteristics
| Compound ID: | V013-1538 |
| Compound Name: | N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea |
| Molecular Weight: | 454.66 |
| Molecular Formula: | C26 H42 N6 O |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CC(C)C)C(NC(C)(C)C)=O)c(C)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.729 |
| logD: | 2.6603 |
| logSw: | -4.2762 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.901 |
| InChI Key: | MCVCKUBCDOHXEI-UHFFFAOYSA-N |