N'-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea
Chemical Structure Depiction of
N'-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea
N'-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V005-7761 |
| Compound Name: | N'-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(propan-2-yl)urea |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C25 H39 F N6 O |
| Smiles: | CCCCNC(N(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(CC)CC1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9108 |
| logD: | 2.8421 |
| logSw: | -4.5682 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.662 |
| InChI Key: | GQQIMJXVQZLQJU-UHFFFAOYSA-N |