4-[2-(azepan-1-yl)-2-oxoethyl]-6-benzyl-5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-6-benzyl-5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-6-benzyl-5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D584-4213 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-6-benzyl-5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 469.59 |
| Molecular Formula: | C28 H31 N5 O2 |
| Smiles: | [H]C([H])(C1=C(C)N(CC(N2CCCCCC2)=O)c2nc(c3ccc(C)cc3)nn2C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9822 |
| logD: | 4.9822 |
| logSw: | -4.5744 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.935 |
| InChI Key: | HGXYCYGHRFIMFB-UHFFFAOYSA-N |