N,N-diethyl-3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)-1H-pyrazole-4-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)-1H-pyrazole-4-sulfonamide
N,N-diethyl-3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)-1H-pyrazole-4-sulfonamide
Compound characteristics
| Compound ID: | G680-0313 |
| Compound Name: | N,N-diethyl-3,5-dimethyl-1-(2-methyl-3-nitrobenzoyl)-1H-pyrazole-4-sulfonamide |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C17 H22 N4 O5 S |
| Smiles: | CCN(CC)S(c1c(C)nn(C(c2cccc(c2C)[N+]([O-])=O)=O)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7326 |
| logD: | 1.7326 |
| logSw: | -2.6656 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.029 |
| InChI Key: | XWIGQTJNWSUUIP-UHFFFAOYSA-N |