3-(3,4-dichlorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-(3,4-dichlorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | K243-0240 |
| Compound Name: | 3-(3,4-dichlorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 472.19 |
| Molecular Formula: | C17 H12 Cl2 N4 O S |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1)C1CSc2nnc(c3ccc(c(c3)[Cl])[Cl])n2N=1 |
| Stereo: | ACHIRAL |
| logP: | 5.2593 |
| logD: | 5.2586 |
| logSw: | -6.0216 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.502 |
| InChI Key: | CFILGSAGJFFIAZ-UHFFFAOYSA-N |