6-[3-(azepan-1-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[3-(azepan-1-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[3-(azepan-1-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D527-0113 |
| Compound Name: | 6-[3-(azepan-1-yl)-3-oxopropyl]-4-ethyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C23 H29 N5 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(N2CCCCCC2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.561 |
| logD: | 3.561 |
| logSw: | -3.4305 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.931 |
| InChI Key: | UNBMELXWBWZMCX-UHFFFAOYSA-N |