N-[(2-chlorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}butan-2-amine
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}butan-2-amine
N-[(2-chlorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}butan-2-amine
Compound characteristics
| Compound ID: | V024-1047 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}butan-2-amine |
| Molecular Weight: | 498.09 |
| Molecular Formula: | C28 H37 Cl F N5 |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccccc1[Cl])Cc1c(C)nn(c2ccc(cc2)F)c1N1CCN(CC)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0179 |
| logD: | 1.6008 |
| logSw: | -6.2168 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.3832 |
| InChI Key: | MMSSSWMZNKDCEZ-NRFANRHFSA-N |