methyl 9-methyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 9-methyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 9-methyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3047 |
| Compound Name: | methyl 9-methyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 465.44 |
| Molecular Formula: | C21 H15 N5 O6 S |
| Smiles: | Cc1c2c3nc(c4ccc(COc5ccc(cc5)[N+]([O-])=O)o4)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2529 |
| logD: | 4.2493 |
| logSw: | -4.5103 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 100.744 |
| InChI Key: | XVGMDEWVASHHOK-UHFFFAOYSA-N |