2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one
2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | Y501-2615 |
| Compound Name: | 2-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-6,7-dimethoxy-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 419.27 |
| Molecular Formula: | C19 H16 Cl2 N4 O3 |
| Smiles: | COc1ccc2CN(C(c2c1OC)=O)c1ncn(Cc2ccc(c(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9447 |
| logD: | 3.9447 |
| logSw: | -4.5053 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.801 |
| InChI Key: | IYLRIJMSUWNBGH-UHFFFAOYSA-N |