5-[(azepan-1-yl)methyl]-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-[(azepan-1-yl)methyl]-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D351-0297 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 415.97 |
| Molecular Formula: | C22 H29 N5 O |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2NC(CN3CCCCCC3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6788 |
| logD: | 3.6475 |
| logSw: | -4.1966 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.404 |
| InChI Key: | OTUWBVKTYHBDQH-UHFFFAOYSA-N |