N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-{5-[(4-fluorophenoxy)methyl]furan-2-yl}methanimine
Chemical Structure Depiction of
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-{5-[(4-fluorophenoxy)methyl]furan-2-yl}methanimine
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-{5-[(4-fluorophenoxy)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y503-4088 |
| Compound Name: | N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-{5-[(4-fluorophenoxy)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C21 H20 F N7 O4 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2ccc(COc3ccc(cc3)F)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9078 |
| logD: | 2.9071 |
| logSw: | -3.3016 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.083 |
| InChI Key: | AGDHXKDLZWIHMS-UHFFFAOYSA-N |