1,1'-[3-ethyl-6-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
Chemical Structure Depiction of
1,1'-[3-ethyl-6-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
1,1'-[3-ethyl-6-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
Compound characteristics
| Compound ID: | F131-0022 |
| Compound Name: | 1,1'-[3-ethyl-6-(4-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one) |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCCC(C1=C(c2ccc(cc2)OC)N(C(CCC)=O)n2c(CC)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.244 |
| logD: | 4.244 |
| logSw: | -4.1854 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.631 |
| InChI Key: | SBXWRWSRZKGAGK-UHFFFAOYSA-N |