N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-3-nitrobenzamide
N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-3-nitrobenzamide
Compound characteristics
Compound ID: | V015-3173 |
Compound Name: | N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(3-methoxypropyl)-3-nitrobenzamide |
Molecular Weight: | 524.6 |
Molecular Formula: | C27 H33 F N6 O4 |
Salt: | not_available |
Smiles: | Cc1c(CN(CCCOC)C(c2cccc(c2)[N+]([O-])=O)=O)c(N2CCN(C)CC2)n(c2cccc(c2)F)n1 |
Stereo: | ACHIRAL |
logP: | 3.3939 |
logD: | 1.4775 |
logSw: | -3.8145 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 78.305 |
InChI Key: | NDBVSZPMULYJBV-UHFFFAOYSA-N |