2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-2~1~-(3-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
2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-2~1~-(3-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-2~1~-(3-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: | Y505-7056 |
| Compound Name: | 2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-2~1~-(3-nitrobenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole |
| Molecular Weight: | 475.91 |
| Molecular Formula: | C19 H18 Cl N7 O4 S |
| Smiles: | Cc1c(cn(C)n1)c1c(c(c2cn(C)nc2C)n(n1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9887 |
| logD: | 1.9887 |
| logSw: | -3.3346 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.244 |
| InChI Key: | AJDPSDCSGXQCJH-UHFFFAOYSA-N |