N-[3-(furan-2-yl)-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-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine
N-[3-(furan-2-yl)-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: | Y503-4713 |
| Compound Name: | N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 399.39 |
| Molecular Formula: | C16 H13 N7 O4 S |
| Smiles: | CSc1nnc(c2ccco2)n1/N=C/c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.0837 |
| logD: | 2.083 |
| logSw: | -2.2608 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 99.082 |
| InChI Key: | RYLPMVZMCWBTFW-UHFFFAOYSA-N |