1,1'-[6-(4-ethylphenyl)-3-methyl-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'-[6-(4-ethylphenyl)-3-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
1,1'-[6-(4-ethylphenyl)-3-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one)
Compound characteristics
| Compound ID: | G857-1283 |
| Compound Name: | 1,1'-[6-(4-ethylphenyl)-3-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(butan-1-one) |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | CCCC(C1=C(c2ccc(CC)cc2)N(C(CCC)=O)n2c(C)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5621 |
| logD: | 4.5621 |
| logSw: | -4.3389 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.888 |
| InChI Key: | YWKCCXRXBNOBRL-UHFFFAOYSA-N |