7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | J108-0608 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C22 H20 N4 O2 |
| Smiles: | C1COc2ccc(cc2OC1)c1ccnc2nc(CCc3ccccc3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 3.5374 |
| logD: | 3.5374 |
| logSw: | -3.6796 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.086 |
| InChI Key: | QUWJBXIBCWTEAG-UHFFFAOYSA-N |