3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | K243-0057 |
| Compound Name: | 3-(4-bromophenyl)-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 416.25 |
| Molecular Formula: | C16 H10 Br N5 O2 S |
| Smiles: | C1C(c2cccc(c2)[N+]([O-])=O)=Nn2c(c3ccc(cc3)[Br])nnc2S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7486 |
| logD: | 4.7485 |
| logSw: | -4.9445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.34 |
| InChI Key: | OVGZGMCMOFXFEE-UHFFFAOYSA-N |