5-[(3-chloroanilino)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloroanilino)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloroanilino)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0181 |
| Compound Name: | 5-[(3-chloroanilino)methyl]-2-(3,4-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 379.85 |
| Molecular Formula: | C20 H18 Cl N5 O |
| Smiles: | Cc1ccc(cc1C)c1nc2NC(CNc3cccc(c3)[Cl])=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8801 |
| logD: | 4.6771 |
| logSw: | -4.8972 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.575 |
| InChI Key: | PIQSSXVDPVPKRX-UHFFFAOYSA-N |