1-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]methanimine
1-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y501-1346 |
| Compound Name: | 1-(6-chloro-2H-1,3-benzodioxol-5-yl)-N-[3-(methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C17 H13 Cl N4 O2 S |
| Smiles: | CSc1nnc(c2ccccc2)n1/N=C/c1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.2192 |
| logD: | 4.2191 |
| logSw: | -4.5304 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.72 |
| InChI Key: | WBKFBDBVXRDNSJ-UHFFFAOYSA-N |