1,1'-[3-ethyl-6-(3-nitrophenyl)-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'-[3-ethyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(ethan-1-one)
1,1'-[3-ethyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | G857-1422 |
| Compound Name: | 1,1'-[3-ethyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl]di(ethan-1-one) |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C16 H15 N5 O4 S |
| Smiles: | CCc1nnc2n1N(C(=C(C(C)=O)S2)c1cccc(c1)[N+]([O-])=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9234 |
| logD: | 1.9234 |
| logSw: | -2.3768 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.044 |
| InChI Key: | MHBMXVZAWOKQAC-UHFFFAOYSA-N |