2~1~-(5-bromothiophene-2-sulfonyl)-2~4~-chloro-1~1~,3~1~-dimethyl-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Chemical Structure Depiction of
2~1~-(5-bromothiophene-2-sulfonyl)-2~4~-chloro-1~1~,3~1~-dimethyl-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
2~1~-(5-bromothiophene-2-sulfonyl)-2~4~-chloro-1~1~,3~1~-dimethyl-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Compound characteristics
| Compound ID: | Y505-7151 |
| Compound Name: | 2~1~-(5-bromothiophene-2-sulfonyl)-2~4~-chloro-1~1~,3~1~-dimethyl-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole |
| Molecular Weight: | 487.78 |
| Molecular Formula: | C15 H12 Br Cl N6 O2 S2 |
| Smiles: | Cn1cc(cn1)c1c(c(c2cnn(C)c2)n(n1)S(c1ccc(s1)[Br])(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4096 |
| logD: | 2.4096 |
| logSw: | -3.2751 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.175 |
| InChI Key: | PKHAKJYZGHRAOL-UHFFFAOYSA-N |