N-[3-(difluoromethyl)-5-(methylsulfanyl)-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-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y502-5623 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 383.33 |
| Molecular Formula: | C13 H11 F2 N7 O3 S |
| Smiles: | CSc1nnc(C(F)F)n1/N=C/c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.4374 |
| logD: | 1.4366 |
| logSw: | -2.1748 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.775 |
| InChI Key: | SMOJMOUDZYJHOR-UHFFFAOYSA-N |