N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-fluorobenzamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-fluorobenzamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-fluorobenzamide
Compound characteristics
| Compound ID: | D614-0140 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-2-fluorobenzamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C23 H22 F N5 O3 |
| Smiles: | [H]C([H])(c1ccc(cc1)OCC)N(C(c1ccccc1F)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0257 |
| logD: | 3.6453 |
| logSw: | -4.1442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.925 |
| InChI Key: | ANNYSTZIIKKABC-UHFFFAOYSA-N |