N-[3-(butylsulfanyl)-5-(trifluoromethyl)-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-(butylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
N-[3-(butylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y503-4775 |
| Compound Name: | N-[3-(butylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 443.41 |
| Molecular Formula: | C16 H16 F3 N7 O3 S |
| Smiles: | CCCCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5318 |
| logD: | 3.5317 |
| logSw: | -3.6596 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.775 |
| InChI Key: | NEGGTRIEPGKASJ-UHFFFAOYSA-N |