N-[(4-bromophenyl)methyl]-N-(6-butyl-5-methyl-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-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
N-[(4-bromophenyl)methyl]-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide
Compound characteristics
| Compound ID: | D614-0476 |
| Compound Name: | N-[(4-bromophenyl)methyl]-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanamide |
| Molecular Weight: | 460.37 |
| Molecular Formula: | C21 H26 Br N5 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(C(C)C)=O)C([H])([H])c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.384 |
| logD: | 5.3367 |
| logSw: | -5.1651 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.073 |
| InChI Key: | XIRFZXUBJLVNDZ-UHFFFAOYSA-N |