6-[3-(azepan-1-yl)-3-oxopropyl]-2-(benzylamino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(benzylamino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(benzylamino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0013 |
| Compound Name: | 6-[3-(azepan-1-yl)-3-oxopropyl]-2-(benzylamino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CC1=C(CCC(N2CCCCCC2)=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5427 |
| logD: | 2.4995 |
| logSw: | -2.8193 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.344 |
| InChI Key: | MGHWSZIXUYSTJW-UHFFFAOYSA-N |