3-[chloro(difluoro)methyl]-6-methyl-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-methyl-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-methyl-7-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | Y501-9742 |
| Compound Name: | 3-[chloro(difluoro)methyl]-6-methyl-7-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 437.81 |
| Molecular Formula: | C17 H10 Cl F2 N5 O3 S |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)Sc2nnc(C(F)(F)[Cl])n2N=1 |
| Stereo: | ACHIRAL |
| logP: | 5.2349 |
| logD: | 5.2347 |
| logSw: | -5.8722 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.551 |
| InChI Key: | GFSRIKXIJGYZRV-UHFFFAOYSA-N |