2-{1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl}-1H-isoindole-1,3(2H)-dione
2-{1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D472-0416 |
| Compound Name: | 2-{1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C29 H28 N6 O2 |
| Smiles: | CC(C)Cn1c(C)c(C)c2c1ncn1c2nc(C(Cc2ccccc2)N2C(c3ccccc3C2=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7015 |
| logD: | 5.5229 |
| logSw: | -5.9167 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.524 |
| InChI Key: | RJXXXQBRKNANAG-QHCPKHFHSA-N |