N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | D614-0085 |
| Compound Name: | N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide |
| Molecular Weight: | 470.3 |
| Molecular Formula: | C21 H17 Br F N5 O2 |
| Smiles: | [H]C([H])(c1ccc(cc1)[Br])N(C(c1ccc(cc1)F)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.338 |
| logD: | 3.9576 |
| logSw: | -4.3236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | IKEFZBCKHJBOSI-UHFFFAOYSA-N |