1-(azepan-1-yl)-4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butan-1-one
1-(azepan-1-yl)-4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butan-1-one
Compound characteristics
| Compound ID: | D494-0642 |
| Compound Name: | 1-(azepan-1-yl)-4-{[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}butan-1-one |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C21 H27 N7 O |
| Smiles: | Cc1cc(NCCCC(N2CCCCCC2)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 1.844 |
| logD: | 1.6905 |
| logSw: | -1.711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.245 |
| InChI Key: | IGPYGDSZFYNMBB-UHFFFAOYSA-N |