N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzene-1-sulfonamide
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V007-6441 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 560.65 |
| Molecular Formula: | C26 H33 F N6 O5 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CCOC)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 3.7828 |
| logD: | 1.7141 |
| logSw: | -3.9825 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.529 |
| InChI Key: | NXSQHLTZANCQIR-UHFFFAOYSA-N |