2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-2~1~-(4-methylbenzene-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~-(4-methylbenzene-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~-(4-methylbenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Compound characteristics
| Compound ID: | Y505-7058 |
| Compound Name: | 2~4~-chloro-1~1~,1~3~,3~1~,3~3~-tetramethyl-2~1~-(4-methylbenzene-1-sulfonyl)-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C20 H21 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1)S(n1c(c2cn(C)nc2C)c(c(c2cn(C)nc2C)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5517 |
| logD: | 2.5517 |
| logSw: | -3.5608 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.863 |
| InChI Key: | MPDHXSBQKXOJOA-UHFFFAOYSA-N |