2-{1-[7-(3-methoxyphenyl)-8,9-dimethyl-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-[7-(3-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-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]ethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | D472-0262 |
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]ethyl}-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 466.5 |
Molecular Formula: | C26 H22 N6 O3 |
Smiles: | CC(c1nc2c3c(C)c(C)n(c4cccc(c4)OC)c3ncn2n1)N1C(c2ccccc2C1=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1264 |
logD: | 3.9226 |
logSw: | -4.725 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.226 |
InChI Key: | DFNQSEPVRHBBEE-INIZCTEOSA-N |