5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0138 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 395.85 |
| Molecular Formula: | C20 H18 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1)c1nc2NC(CNc3cc(ccc3OC)[Cl])=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.179 |
| logD: | 3.9759 |
| logSw: | -4.5327 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.508 |
| InChI Key: | BIUKGMLMQDTEGG-UHFFFAOYSA-N |