1,1'-{6-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
Chemical Structure Depiction of
1,1'-{6-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
1,1'-{6-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one)
Compound characteristics
| Compound ID: | G857-1339 |
| Compound Name: | 1,1'-{6-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl}di(ethan-1-one) |
| Molecular Weight: | 499.38 |
| Molecular Formula: | C22 H19 Br N4 O3 S |
| Smiles: | CC(C1=C(c2ccc(cc2)[Br])N(C(C)=O)n2c(Cc3ccc(cc3)OC)nnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8587 |
| logD: | 3.8587 |
| logSw: | -4.0925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.935 |
| InChI Key: | CPSNGMMLKHFXBO-UHFFFAOYSA-N |