N'-(3,4-dichlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea
Chemical Structure Depiction of
N'-(3,4-dichlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea
N'-(3,4-dichlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea
Compound characteristics
| Compound ID: | V025-3687 |
| Compound Name: | N'-(3,4-dichlorophenyl)-N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)urea |
| Molecular Weight: | 543.54 |
| Molecular Formula: | C28 H36 Cl2 N6 O |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CC(C)C)C(Nc2ccc(c(c2)[Cl])[Cl])=O)c(C)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.537 |
| logD: | 4.4683 |
| logSw: | -6.1406 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.483 |
| InChI Key: | DUPDXWPLUIVTAU-UHFFFAOYSA-N |