2-{2-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
2-{2-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D116-0038 |
| Compound Name: | 2-{2-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C21 H15 N5 O4 S |
| Smiles: | C(c1cccs1)Nc1nc(c2ccco2)nn1C(CN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.344 |
| logD: | 2.344 |
| logSw: | -3.0341 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.821 |
| InChI Key: | LACQJBHUMYJIGT-UHFFFAOYSA-N |