ethyl 3-(2-{[(3,5-difluorophenyl)methyl]amino}-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-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | D298-0630 |
| Compound Name: | ethyl 3-(2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C18 H19 F2 N5 O3 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3cc(cc(c3)F)F)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7758 |
| logD: | 2.7326 |
| logSw: | -2.9076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | XVFVKNZUKDLFRD-UHFFFAOYSA-N |