6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole--hydrogen chloride (1/1)
6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-2594 |
| Compound Name: | 6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole--hydrogen chloride (1/1) |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1cccc(c1)c1nnc2n1nc(Cc1ccc3c(c1)OCCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0586 |
| logD: | 3.0586 |
| logSw: | -3.0084 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.04 |
| InChI Key: | KKPISFFUQBYJDU-UHFFFAOYSA-N |