5-[(4-bromoanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-bromoanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-bromoanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0107 |
| Compound Name: | 5-[(4-bromoanilino)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 414.23 |
| Molecular Formula: | C18 H13 Br F N5 O |
| Smiles: | C(C1=CC(n2c(N1)nc(c1ccc(cc1)F)n2)=O)Nc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.133 |
| logD: | 3.9299 |
| logSw: | -4.4419 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.575 |
| InChI Key: | YZVJCKDGIJZFHY-UHFFFAOYSA-N |