5-[(azepan-1-yl)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(azepan-1-yl)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0131 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 365.88 |
| Molecular Formula: | C16 H19 N5 O S |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)CC1=CC(n2c(N1)nc(c1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6047 |
| logD: | 2.6047 |
| logSw: | -2.998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.423 |
| InChI Key: | FIPJZYZZCDRXRN-UHFFFAOYSA-N |