3-(4-butoxyphenyl)-6-(3-chloro-4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-(4-butoxyphenyl)-6-(3-chloro-4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(4-butoxyphenyl)-6-(3-chloro-4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | K243-0261 |
| Compound Name: | 3-(4-butoxyphenyl)-6-(3-chloro-4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)[Cl])OCC |
| Stereo: | ACHIRAL |
| logP: | 6.0414 |
| logD: | 6.0408 |
| logSw: | -6.2387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.586 |
| InChI Key: | ZBVZSOGUWGECMX-UHFFFAOYSA-N |