5-[(3-chloro-4-methylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3-chloro-4-methylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3-chloro-4-methylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0248 |
| Compound Name: | 5-[(3-chloro-4-methylanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C21 H21 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9325 |
| logD: | 3.6467 |
| logSw: | -4.2465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.759 |
| InChI Key: | XMFMYGCZFKJUCO-UHFFFAOYSA-N |