N-[(4-bromophenyl)methyl]-3-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
N-[(4-bromophenyl)methyl]-3-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Compound characteristics
| Compound ID: | D614-0094 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide |
| Molecular Weight: | 486.75 |
| Molecular Formula: | C21 H17 Br Cl N5 O2 |
| Smiles: | [H]C([H])(c1ccc(cc1)[Br])N(C(c1cccc(c1)[Cl])=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8876 |
| logD: | 4.5073 |
| logSw: | -4.8377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | ULCFDRZEGGDIRK-UHFFFAOYSA-N |