ethyl (2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
ethyl (2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D298-0631 |
| Compound Name: | ethyl (2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 377.35 |
| Molecular Formula: | C17 H17 F2 N5 O3 |
| Smiles: | CCOC(CC1=C(C)Nc2nc(NCc3cc(cc(c3)F)F)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3401 |
| logD: | 2.321 |
| logSw: | -2.7318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | YNAKQPVTEZCDJF-UHFFFAOYSA-N |