N'-tert-butyl-N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N'-tert-butyl-N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}urea
N'-tert-butyl-N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | V016-8511 |
| Compound Name: | N'-tert-butyl-N-(3-methoxypropyl)-N-{[3-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C25 H40 N6 O2 |
| Smiles: | Cc1c(CN(CCCOC)C(NC(C)(C)C)=O)c(N2CCN(C)CC2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3883 |
| logD: | 1.4719 |
| logSw: | -3.6371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | UCJLORBBLYVIAO-UHFFFAOYSA-N |