2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D458-0072 |
| Compound Name: | 2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 460.97 |
| Molecular Formula: | C25 H25 Cl N6 O |
| Smiles: | Cc1c(CC(N2CCN(CC2)c2ccccc2)=O)c(C)n2c(n1)nc(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 4.1707 |
| logD: | 4.1707 |
| logSw: | -4.6203 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.486 |
| InChI Key: | JCYBUUXFYWKNPD-UHFFFAOYSA-N |