N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}ethanamine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}ethanamine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}ethanamine
Compound characteristics
| Compound ID: | V019-2174 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}ethanamine |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C26 H32 F N5 O2 |
| Salt: | not_available |
| Smiles: | CCN(Cc1ccc2c(c1)OCO2)Cc1c(C)nn(c2ccc(cc2)F)c1N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0537 |
| logD: | -1.7216 |
| logSw: | -3.9962 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.943 |
| InChI Key: | GKHQXPBSANPNDE-UHFFFAOYSA-N |