N'-cyclohexyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)urea
Chemical Structure Depiction of
N'-cyclohexyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)urea
N'-cyclohexyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)urea
Compound characteristics
| Compound ID: | V028-3805 |
| Compound Name: | N'-cyclohexyl-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)urea |
| Molecular Weight: | 500.66 |
| Molecular Formula: | C27 H41 F N6 O2 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CCOC)C(NC2CCCCC2)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 4.245 |
| logD: | 2.1763 |
| logSw: | -4.1624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.852 |
| InChI Key: | SBBPNGBJUOTZIS-UHFFFAOYSA-N |