4-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D475-1302 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C20 H22 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(nc(c3ccc(cc3)[Cl])n2)N1CC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3788 |
| logD: | 3.3788 |
| logSw: | -3.8382 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.069 |
| InChI Key: | AUNDRHISEJVTQJ-UHFFFAOYSA-N |