3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D228-1509 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 384.84 |
| Molecular Formula: | C18 H13 Cl N4 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc2n1nc(c1ccc3c(c1)OCCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.9799 |
| logD: | 2.9799 |
| logSw: | -3.5035 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.521 |
| InChI Key: | DPZHEJQXVLVUSA-UHFFFAOYSA-N |