3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-3517 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 496.93 |
| Molecular Formula: | C23 H17 Cl N4 O5 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCc1c(cccc1[Cl])[N+]([O-])=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.0336 |
| logD: | 5.0336 |
| logSw: | -5.3455 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.384 |
| InChI Key: | VCXMPUXEZRDSRF-UHFFFAOYSA-N |