N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
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)-2-methylpropanamide
N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
Compound characteristics
Compound ID: | D614-0076 |
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)-2-methylpropanamide |
Molecular Weight: | 418.29 |
Molecular Formula: | C18 H20 Br N5 O2 |
Smiles: | [H]C([H])(c1ccc(cc1)[Br])N(C(C(C)C)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
Stereo: | ACHIRAL |
logP: | 3.8004 |
logD: | 3.6792 |
logSw: | -4.0005 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.073 |
InChI Key: | KDGDVEINBRQDQP-UHFFFAOYSA-N |