ethyl 3-(2-{[(2-chloro-6-fluorophenyl)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-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | D298-0206 |
| Compound Name: | ethyl 3-(2-{[(2-chloro-6-fluorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 407.83 |
| Molecular Formula: | C18 H19 Cl F N5 O3 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3c(cccc3[Cl])F)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1414 |
| logD: | 3.0982 |
| logSw: | -3.548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | BUVCVLDWUPNPBF-UHFFFAOYSA-N |