N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y508-8757 |
| Compound Name: | N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 397.36 |
| Molecular Formula: | C14 H13 F2 N7 O3 S |
| Smiles: | CCSc1nnc(C(F)F)n1/N=C/c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.8377 |
| logD: | 1.8372 |
| logSw: | -2.1168 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.775 |
| InChI Key: | ZIJWPHPJBPGMMX-UHFFFAOYSA-N |