methyl 2-{5-[(2-bromophenoxy)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{5-[(2-bromophenoxy)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{5-[(2-bromophenoxy)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3049 |
| Compound Name: | methyl 2-{5-[(2-bromophenoxy)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 499.34 |
| Molecular Formula: | C21 H15 Br N4 O4 S |
| Smiles: | Cc1c2c3nc(c4ccc(COc5ccccc5[Br])o4)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9166 |
| logD: | 4.913 |
| logSw: | -4.9361 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.449 |
| InChI Key: | CZWUZPZGCZHRFU-UHFFFAOYSA-N |