2-{2-oxo-2-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-oxo-2-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethyl}-1H-isoindole-1,3(2H)-dione
2-{2-oxo-2-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D116-0218 |
| Compound Name: | 2-{2-oxo-2-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C22 H16 N6 O3 S |
| Smiles: | C(c1cccs1)Nc1nc(c2cccnc2)nn1C(CN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9139 |
| logD: | 1.7646 |
| logSw: | -2.5085 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.76 |
| InChI Key: | QQZPIOUTIZTQPQ-UHFFFAOYSA-N |