7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
Compound ID: | J108-0607 |
Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethyl[1,2,4]triazolo[1,5-a]pyrimidine |
Molecular Weight: | 296.33 |
Molecular Formula: | C16 H16 N4 O2 |
Smiles: | CCc1nc2nccc(c3ccc4c(c3)OCCCO4)n2n1 |
Stereo: | ACHIRAL |
logP: | 1.9844 |
logD: | 1.9844 |
logSw: | -2.1863 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.358 |
InChI Key: | BKCUEHGQPMLDFP-UHFFFAOYSA-N |