2-{[(4-chlorophenyl)methyl]amino}-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0088 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-[(2,4-dimethoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C21 H21 Cl N6 O3 |
| Smiles: | COc1ccc(c(c1)OC)NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1165 |
| logD: | 2.8273 |
| logSw: | -3.6529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.692 |
| InChI Key: | XTNXXPKEGUXSQX-UHFFFAOYSA-N |