1-(3-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
1-(3-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | D245-0167 |
| Compound Name: | 1-(3-{[2-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)ethan-1-one |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C20 H16 Cl N5 O |
| Smiles: | CC(c1cccc(c1)Nc1cc(C)nc2nc(c3ccc(cc3)[Cl])nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4712 |
| logD: | 4.4566 |
| logSw: | -4.6474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.667 |
| InChI Key: | LTPTUGGNQQLXGI-UHFFFAOYSA-N |