3-(difluoromethyl)-7-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-(difluoromethyl)-7-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(difluoromethyl)-7-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | Y509-0090 |
| Compound Name: | 3-(difluoromethyl)-7-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 464.45 |
| Molecular Formula: | C22 H14 F2 N6 O2 S |
| Smiles: | C(=C1/C(c2ccccc2)=Nn2c(C(F)F)nnc2S1)\c1cccn1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.79 |
| logD: | 4.7894 |
| logSw: | -4.9851 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.066 |
| InChI Key: | LYYGVOGGCXYRCF-UHFFFAOYSA-N |