1-(azepan-1-yl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-(azepan-1-yl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | D458-0400 |
| Compound Name: | 1-(azepan-1-yl)-2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C25 H33 N5 O |
| Smiles: | Cc1c(CC(N2CCCCCC2)=O)c(C)n2c(n1)nc(c1ccc(cc1)C(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.2311 |
| logD: | 5.231 |
| logSw: | -4.9869 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.556 |
| InChI Key: | JREOQNXEYNVFJS-UHFFFAOYSA-N |