1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane
Chemical Structure Depiction of
1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane
1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane
Compound characteristics
| Compound ID: | G680-0612 |
| Compound Name: | 1-[3,5-dimethyl-1-(3-nitrobenzene-1-sulfonyl)-1H-pyrazole-4-sulfonyl]azepane |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C17 H22 N4 O6 S2 |
| Smiles: | Cc1c(c(C)n(n1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0515 |
| logD: | 2.0515 |
| logSw: | -2.5082 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 106.282 |
| InChI Key: | YVQLPBYNUFUORF-UHFFFAOYSA-N |