6-[3-(azepan-1-yl)-3-oxopropyl]-2-(4-chlorophenyl)-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(4-chlorophenyl)-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(4-chlorophenyl)-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D527-1013 |
| Compound Name: | 6-[3-(azepan-1-yl)-3-oxopropyl]-2-(4-chlorophenyl)-4,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C22 H26 Cl N5 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(N2CCCCCC2)=O)C(n2c1nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.723 |
| logD: | 3.723 |
| logSw: | -4.2397 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.972 |
| InChI Key: | RMOJPSAGLIVWQK-UHFFFAOYSA-N |