2-{1-[7-(3-methoxyphenyl)-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-{1-[7-(3-methoxyphenyl)-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-{1-[7-(3-methoxyphenyl)-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: | D472-0263 |
| Compound Name: | 2-{1-[7-(3-methoxyphenyl)-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: | 480.53 |
| Molecular Formula: | C27 H24 N6 O3 |
| Smiles: | CCC(c1nc2c3c(C)c(C)n(c4cccc(c4)OC)c3ncn2n1)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7708 |
| logD: | 4.5669 |
| logSw: | -4.9209 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.811 |
| InChI Key: | HNJRHINPALUKFE-NRFANRHFSA-N |