N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea
N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | V008-4875 |
| Compound Name: | N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 544.62 |
| Molecular Formula: | C28 H35 F3 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1c(CN(CCCOC)C(Nc2cccc(c2)C(F)(F)F)=O)c(N2CCN(C)CC2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7653 |
| logD: | 2.8489 |
| logSw: | -4.5804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.744 |
| InChI Key: | OUZUKTFIEWRZLN-UHFFFAOYSA-N |