7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | J108-0614 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C24 H24 N4 O4 |
| Smiles: | COc1ccc(CCc2nc3nccc(c4ccc5c(c4)OCCCO5)n3n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0545 |
| logD: | 3.0545 |
| logSw: | -3.0623 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.347 |
| InChI Key: | ZOIBEFVIALGGER-UHFFFAOYSA-N |