4-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]morpholine
Chemical Structure Depiction of
4-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]morpholine
4-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]morpholine
Compound characteristics
| Compound ID: | G680-0611 |
| Compound Name: | 4-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]morpholine |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C15 H18 N4 O7 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)S(N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5661 |
| logD: | 0.5661 |
| logSw: | -2.1048 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 113.86 |
| InChI Key: | XWXWAJPFHCIETP-UHFFFAOYSA-N |