N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D524-2511 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C22 H20 F N5 O3 |
| Smiles: | [H]C([H])(c1ccc(cc1)OC)N(C(c1ccc(cc1)F)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4865 |
| logD: | 3.1061 |
| logSw: | -3.5798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.345 |
| InChI Key: | WUWSEYHQINCSDU-UHFFFAOYSA-N |