N-(butan-2-yl)-N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea
N-(butan-2-yl)-N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | V015-0020 |
| Compound Name: | N-(butan-2-yl)-N'-tert-butyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 472.65 |
| Molecular Formula: | C26 H41 F N6 O |
| Smiles: | CCC(C)N(Cc1c(C)nn(c2cccc(c2)F)c1N1CCN(CC)CC1)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9831 |
| logD: | 2.9144 |
| logSw: | -4.5865 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.229 |
| InChI Key: | JGENHXCFJGWARU-IBGZPJMESA-N |