1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Chemical Structure Depiction of
1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Compound characteristics
| Compound ID: | Y505-6944 |
| Compound Name: | 1~1~,3~1~-dimethyl-2~1~-(4-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole |
| Molecular Weight: | 413.41 |
| Molecular Formula: | C17 H15 N7 O4 S |
| Smiles: | Cn1cc(cn1)c1cc(c2cnn(C)c2)n(n1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3724 |
| logD: | 1.3724 |
| logSw: | -2.281 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 101.992 |
| InChI Key: | JTKASHADWCZCTD-UHFFFAOYSA-N |