5-[(2-chloroanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-chloroanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-chloroanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0380 |
| Compound Name: | 5-[(2-chloroanilino)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C21 H21 Cl N6 O3 |
| Smiles: | COc1ccc(CNc2nc3NC(CNc4ccccc4[Cl])=CC(n3n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6512 |
| logD: | 2.3654 |
| logSw: | -3.4708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.778 |
| InChI Key: | VUBYQXNYGUUHFH-UHFFFAOYSA-N |