3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | G786-0608 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine--hydrogen bromide (1/1) |
| Molecular Weight: | 462.32 |
| Molecular Formula: | C18 H15 N5 O3 S |
| Salt: | HBr |
| Smiles: | COc1ccc(Cc2nnc3n2N=C(CS3)c2ccc(cc2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5355 |
| logD: | 3.5199 |
| logSw: | -3.7735 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.86 |
| InChI Key: | DKWWDKQTBCTMHP-UHFFFAOYSA-N |