6-[2-(azepan-1-yl)-2-oxoethyl]-4,5-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[2-(azepan-1-yl)-2-oxoethyl]-4,5-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[2-(azepan-1-yl)-2-oxoethyl]-4,5-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D584-0013 |
| Compound Name: | 6-[2-(azepan-1-yl)-2-oxoethyl]-4,5-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CC(N2CCCCCC2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9184 |
| logD: | 2.9183 |
| logSw: | -2.9519 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.972 |
| InChI Key: | YLBSGNZDFUBERZ-UHFFFAOYSA-N |