5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0193 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 411.85 |
| Molecular Formula: | C20 H18 Cl N5 O3 |
| Smiles: | COc1ccc(cc1)c1nc2NC(CNc3cc(ccc3OC)[Cl])=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.738 |
| logD: | 3.5349 |
| logSw: | -4.4298 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.051 |
| InChI Key: | LJWICIHUFMRGSA-UHFFFAOYSA-N |