5-[(2-chloroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-chloroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-chloroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
Compound ID: | D412-0280 |
Compound Name: | 5-[(2-chloroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
Molecular Weight: | 398.83 |
Molecular Formula: | C19 H16 Cl F N6 O |
Smiles: | C(C1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O)Nc1ccccc1[Cl] |
Stereo: | ACHIRAL |
logP: | 3.0654 |
logD: | 2.7796 |
logSw: | -3.4797 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 72.518 |
InChI Key: | SPDANRPWPWDOMR-UHFFFAOYSA-N |