1,1'-{3-methyl-6-[4-(propan-2-yl)phenyl]-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-methyl-6-[4-(propan-2-yl)phenyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(butan-1-one)
1,1'-{3-methyl-6-[4-(propan-2-yl)phenyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(butan-1-one)
Compound characteristics
| Compound ID: | G857-1282 |
| Compound Name: | 1,1'-{3-methyl-6-[4-(propan-2-yl)phenyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(butan-1-one) |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CCCC(C1=C(c2ccc(cc2)C(C)C)N(C(CCC)=O)n2c(C)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9696 |
| logD: | 4.9696 |
| logSw: | -4.5268 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.888 |
| InChI Key: | GOZVKNAVCYUQGO-UHFFFAOYSA-N |