ethyl 2-{[(3-bromophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-bromophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(3-bromophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D043-0019 |
| Compound Name: | ethyl 2-{[(3-bromophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 392.21 |
| Molecular Formula: | C15 H14 Br N5 O3 |
| Smiles: | CCOC(C1=CNc2nc(NCc3cccc(c3)[Br])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0807 |
| logD: | 0.1386 |
| logSw: | -2.6722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.883 |
| InChI Key: | LGLOSSQARNSYCU-UHFFFAOYSA-N |