N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-4-nitrobenzene-1-sulfonamide
N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V002-5319 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-(3-methylbutyl)-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C28 H38 N6 O4 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CCC(C)C)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)c(C)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2917 |
| logD: | 3.223 |
| logSw: | -5.2479 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.187 |
| InChI Key: | SXBMZAPDHQQZJQ-UHFFFAOYSA-N |