1-(azepan-1-yl)-2-[5,7-dimethyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[5,7-dimethyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-(azepan-1-yl)-2-[5,7-dimethyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | D458-0346 |
| Compound Name: | 1-(azepan-1-yl)-2-[5,7-dimethyl-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C22 H27 N5 O |
| Smiles: | Cc1cccc(c1)c1nc2nc(C)c(CC(N3CCCCCC3)=O)c(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8059 |
| logD: | 3.8059 |
| logSw: | -3.9904 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.556 |
| InChI Key: | UADCTFNIIIKKKB-UHFFFAOYSA-N |