3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(furan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(furan-2-yl)methyl]propanamide
3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(furan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | D527-0086 |
| Compound Name: | 3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(furan-2-yl)methyl]propanamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(NCc2ccco2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6851 |
| logD: | 2.6851 |
| logSw: | -2.9055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.468 |
| InChI Key: | NWLWFBGRBJQDNO-UHFFFAOYSA-N |