2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione
2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D472-0723 |
| Compound Name: | 2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C28 H25 F N6 O2 |
| Smiles: | CC(C)CC(c1nc2c3c(C)c(C)n(c4ccc(cc4)F)c3ncn2n1)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3625 |
| logD: | 5.184 |
| logSw: | -5.5966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.267 |
| InChI Key: | XXFCCGYAOXQOBH-QFIPXVFZSA-N |