N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbenzamide
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)-3-methylbenzamide
N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbenzamide
Compound characteristics
| Compound ID: | D614-0093 |
| 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)-3-methylbenzamide |
| Molecular Weight: | 466.34 |
| Molecular Formula: | C22 H20 Br N5 O2 |
| Smiles: | [H]C([H])(c1ccc(cc1)[Br])N(C(c1cccc(C)c1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5959 |
| logD: | 4.2156 |
| logSw: | -4.345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | ISFMRTYYDUWPBW-UHFFFAOYSA-N |