2-{2-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
2-{2-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D116-0147 |
| Compound Name: | 2-{2-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 461.86 |
| Molecular Formula: | C23 H16 Cl N5 O4 |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1nc(c2ccco2)nn1C(CN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9637 |
| logD: | 2.9637 |
| logSw: | -3.8417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.802 |
| InChI Key: | XYRGTGJZPWHBED-UHFFFAOYSA-N |