ethyl 2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D043-0012 |
| Compound Name: | ethyl 2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 331.3 |
| Molecular Formula: | C15 H14 F N5 O3 |
| Smiles: | CCOC(C1=CNc2nc(NCc3ccc(cc3)F)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3569 |
| logD: | -0.5852 |
| logSw: | -2.0834 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.883 |
| InChI Key: | UCCJYXCNDYAFNM-UHFFFAOYSA-N |