N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Compound characteristics
| Compound ID: | D439-0361 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide |
| Molecular Weight: | 395.8 |
| Molecular Formula: | C19 H14 Cl N5 O3 |
| Smiles: | C(C(Nc1ncn(Cc2ccc(cc2)[Cl])n1)=O)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5207 |
| logD: | 2.5186 |
| logSw: | -3.4352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.862 |
| InChI Key: | BDQWMLDSUAGTJL-UHFFFAOYSA-N |