6-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8018-2556 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 386.86 |
| Molecular Formula: | C18 H15 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc2n1nc(Cc1ccc(cc1)[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8503 |
| logD: | 3.8503 |
| logSw: | -4.5008 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.478 |
| InChI Key: | JMRUQXUCTLDYOB-UHFFFAOYSA-N |