7-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
7-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D472-0965 |
| Compound Name: | 7-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C27 H28 F N5 O2 |
| Smiles: | CCOc1ccc(CCn2c(C)c(C)c3c2ncn2c3nc(c3ccc(cc3)F)n2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.8477 |
| logD: | 4.5065 |
| logSw: | -4.8724 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.473 |
| InChI Key: | XNOJFKKKTYUQIS-UHFFFAOYSA-N |