1-(2-chloro-6-fluorophenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-(2-chloro-6-fluorophenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine
1-(2-chloro-6-fluorophenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | Y503-4082 |
| Compound Name: | 1-(2-chloro-6-fluorophenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 423.85 |
| Molecular Formula: | C16 H15 Cl F N7 O2 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2c(cccc2[Cl])F)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3136 |
| logD: | 2.3135 |
| logSw: | -3.0606 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.843 |
| InChI Key: | VGVJSMRPHZDNIO-UHFFFAOYSA-N |