ethyl 3-{2-[(4-fluoroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{2-[(4-fluoroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{2-[(4-fluoroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
| Compound ID: | D433-1668 |
| Compound Name: | ethyl 3-{2-[(4-fluoroanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C18 H20 F N5 O3 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(CNc3ccc(cc3)F)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3356 |
| logD: | 0.6512 |
| logSw: | -2.8318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.907 |
| InChI Key: | VXDBNTQWNZEEQS-UHFFFAOYSA-N |