N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Chemical Structure Depiction of
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine
Compound characteristics
| Compound ID: | Y508-8923 |
| Compound Name: | N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-(6-nitro-2H-1,3-benzodioxol-5-yl)methanimine |
| Molecular Weight: | 399.37 |
| Molecular Formula: | C15 H15 F2 N5 O4 S |
| Smiles: | CCCCSc1nnc(C(F)F)n1/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3242 |
| logD: | 3.3241 |
| logSw: | -3.7881 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.073 |
| InChI Key: | XZNVLYVDDPRNCT-UHFFFAOYSA-N |