5-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazole
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazole
5-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 4073-0028 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazole |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C16 H12 Cl N3 O2 |
| Smiles: | Cc1c(cccc1[Cl])n1c(c2ccc3c(c2)OCO3)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 4.4139 |
| logD: | 4.4139 |
| logSw: | -4.5767 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.645 |
| InChI Key: | GEXNVSQCPIXDRA-UHFFFAOYSA-N |