2-(3,4-dimethylphenyl)-5-{[(naphthalen-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-{[(naphthalen-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(3,4-dimethylphenyl)-5-{[(naphthalen-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0170 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-{[(naphthalen-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C24 H21 N5 O |
| Smiles: | Cc1ccc(cc1C)c1nc2NC(CNc3ccc4ccccc4c3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3423 |
| logD: | 5.1392 |
| logSw: | -6.1976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.304 |
| InChI Key: | GKQDUPGFNZHORD-UHFFFAOYSA-N |