N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
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-methylbutanamide
N-[(4-bromophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | D614-0099 |
| 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-methylbutanamide |
| Molecular Weight: | 432.32 |
| Molecular Formula: | C19 H22 Br N5 O2 |
| Smiles: | [H]C([H])(c1ccc(cc1)[Br])N(C(CC(C)C)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.233 |
| logD: | 4.1118 |
| logSw: | -4.2089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.545 |
| InChI Key: | XMIMZZXWGLUTHC-UHFFFAOYSA-N |