N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V015-3698 |
| Compound Name: | N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-3-nitrobenzamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C26 H31 F N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(CN(CCOC)C(c2cccc(c2)[N+]([O-])=O)=O)c(N2CCN(C)CC2)n(c2cccc(c2)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0537 |
| logD: | 1.1373 |
| logSw: | -3.299 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.305 |
| InChI Key: | ZAFSDOJWBZSRKQ-UHFFFAOYSA-N |