1-(azepan-1-yl)-2-[2-(4-chlorophenyl)-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-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
1-(azepan-1-yl)-2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | D458-0076 |
| Compound Name: | 1-(azepan-1-yl)-2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one |
| Molecular Weight: | 397.91 |
| Molecular Formula: | C21 H24 Cl N5 O |
| Smiles: | Cc1c(CC(N2CCCCCC2)=O)c(C)n2c(n1)nc(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 4.0314 |
| logD: | 4.0313 |
| logSw: | -4.4378 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.556 |
| InChI Key: | ZFZWEIGNOMNCBO-UHFFFAOYSA-N |