N-[(3,4-difluorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyethan-1-amine
Chemical Structure Depiction of
N-[(3,4-difluorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyethan-1-amine
N-[(3,4-difluorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyethan-1-amine
Compound characteristics
| Compound ID: | V025-3866 |
| Compound Name: | N-[(3,4-difluorophenyl)methyl]-N-{[5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-2-methoxyethan-1-amine |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C27 H34 F3 N5 O |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CCOC)Cc2ccc(c(c2)F)F)c(C)nn1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.3181 |
| logD: | 1.3673 |
| logSw: | -4.1991 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.484 |
| InChI Key: | LWBOCMWURTXDRH-UHFFFAOYSA-N |