3-bromo-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-bromo-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide
3-bromo-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V001-0221 |
| Compound Name: | 3-bromo-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 538.53 |
| Molecular Formula: | C28 H36 Br N5 O |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CC(C)C)C(c2cccc(c2)[Br])=O)c(C)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4296 |
| logD: | 3.3609 |
| logSw: | -5.3814 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.662 |
| InChI Key: | PQJMDRKTCDCMQF-UHFFFAOYSA-N |