5-[(4-bromoanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-bromoanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-bromoanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0287 |
| Compound Name: | 5-[(4-bromoanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 443.28 |
| Molecular Formula: | C19 H16 Br F N6 O |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O)Nc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5504 |
| logD: | 3.2646 |
| logSw: | -3.6835 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.215 |
| InChI Key: | DVBJMAQRKFJCCM-UHFFFAOYSA-N |