5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0276 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 428.85 |
| Molecular Formula: | C20 H18 Cl F N6 O2 |
| Smiles: | COc1ccc(cc1NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2021 |
| logD: | 2.9163 |
| logSw: | -3.6295 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.148 |
| InChI Key: | FOGPBAZISLRCIC-UHFFFAOYSA-N |