5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0096 |
| Compound Name: | 5-[(5-chloro-2-methoxyanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 399.81 |
| Molecular Formula: | C19 H15 Cl F N5 O2 |
| Smiles: | COc1ccc(cc1NCC1=CC(n2c(N1)nc(c1ccc(cc1)F)n2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7847 |
| logD: | 3.5816 |
| logSw: | -4.4297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.508 |
| InChI Key: | NYISWHUIWSIHHD-UHFFFAOYSA-N |