2-{7-[2-(3,4-diethoxyphenyl)ethyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}phenol
Chemical Structure Depiction of
2-{7-[2-(3,4-diethoxyphenyl)ethyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}phenol
2-{7-[2-(3,4-diethoxyphenyl)ethyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}phenol
Compound characteristics
| Compound ID: | D472-0972 |
| Compound Name: | 2-{7-[2-(3,4-diethoxyphenyl)ethyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}phenol |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C27 H29 N5 O3 |
| Smiles: | CCOc1ccc(CCn2c(C)c(C)c3c2ncn2c3nc(c3ccccc3O)n2)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.8356 |
| logD: | 4.4943 |
| logSw: | -4.389 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.021 |
| InChI Key: | XTJKQFWCAOXEDJ-UHFFFAOYSA-N |