3-[(4-chlorophenoxy)methyl]-5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
3-[(4-chlorophenoxy)methyl]-5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(4-chlorophenoxy)methyl]-5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V010-0804 |
| Compound Name: | 3-[(4-chlorophenoxy)methyl]-5-[(2-methylphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C19 H17 Cl N4 O2 S |
| Smiles: | Cc1ccccc1CN1C(CSc2nnc(COc3ccc(cc3)[Cl])n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8058 |
| logD: | 3.8058 |
| logSw: | -4.3141 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.661 |
| InChI Key: | RIWXVFNYVYYVPZ-UHFFFAOYSA-N |