2-(benzylamino)-5-[(3-chloroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(benzylamino)-5-[(3-chloroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(benzylamino)-5-[(3-chloroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0031 |
| Compound Name: | 2-(benzylamino)-5-[(3-chloroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 380.83 |
| Molecular Formula: | C19 H17 Cl N6 O |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1ccccc1)n2)=O)Nc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3135 |
| logD: | 3.0277 |
| logSw: | -3.6521 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.215 |
| InChI Key: | NPLNMTHCEZSJEB-UHFFFAOYSA-N |