3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | Y501-9722 |
| Compound Name: | 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 535.86 |
| Molecular Formula: | C22 H10 Cl F4 N5 O3 S |
| Smiles: | C(=C1/C(c2ccc(cc2F)F)=Nn2c(C(F)(F)[Cl])nnc2S1)\c1ccc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.8 |
| logD: | 6.7999 |
| logSw: | -6.8587 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.106 |
| InChI Key: | XABBUMPVZFRSFW-UHFFFAOYSA-N |