2-{3-[7-(4-ethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-[7-(4-ethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl}-1H-isoindole-1,3(2H)-dione
2-{3-[7-(4-ethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D472-0326 |
| Compound Name: | 2-{3-[7-(4-ethoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C28 H26 N6 O3 |
| Smiles: | CCOc1ccc(cc1)n1c(C)c(C)c2c1ncn1c2nc(CCCN2C(c3ccccc3C2=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7697 |
| logD: | 3.7053 |
| logSw: | -4.1058 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.434 |
| InChI Key: | VRUHWYUNICADET-UHFFFAOYSA-N |