7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | J108-0605 |
| Compound Name: | 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 334.33 |
| Molecular Formula: | C18 H14 N4 O3 |
| Smiles: | C1COc2ccc(cc2OC1)c1ccnc2nc(c3ccco3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 2.2275 |
| logD: | 2.2275 |
| logSw: | -2.4032 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.674 |
| InChI Key: | HXEIMPHCICATNK-UHFFFAOYSA-N |