N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-nitrobenzene-1-sulfonamide
N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y508-9973 |
| Compound Name: | N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 379.36 |
| Molecular Formula: | C11 H11 F2 N5 O4 S2 |
| Smiles: | CCSc1nnc(C(F)F)n1NS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4935 |
| logD: | 0.7294 |
| logSw: | -2.5886 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.931 |
| InChI Key: | YWDFWPUDUQXYLD-UHFFFAOYSA-N |