2-(1-{8,9-dimethyl-7-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}ethyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(1-{8,9-dimethyl-7-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}ethyl)-1H-isoindole-1,3(2H)-dione
2-(1-{8,9-dimethyl-7-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}ethyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D472-1138 |
| Compound Name: | 2-(1-{8,9-dimethyl-7-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}ethyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C26 H29 N7 O3 |
| Smiles: | CC(c1nc2c3c(C)c(C)n(CCCN4CCOCC4)c3ncn2n1)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4263 |
| logD: | 2.1864 |
| logSw: | -2.8341 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.809 |
| InChI Key: | ROGJOAKFKSADMN-SFHVURJKSA-N |