7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y042-2257 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc2nccc(c3ccc4c(c3)OCCCO4)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7604 |
| logD: | 2.7601 |
| logSw: | -3.0048 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.074 |
| InChI Key: | KLJAKIJKMNZTEW-UHFFFAOYSA-N |