9-ethyl-8-methyl-2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-ethyl-8-methyl-2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-ethyl-8-methyl-2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-6768 |
| Compound Name: | 9-ethyl-8-methyl-2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | CCc1c2c3nc(c4ccc(COc5ccc(C)cc5[N+]([O-])=O)o4)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 5.3228 |
| logD: | 5.3225 |
| logSw: | -5.6081 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.355 |
| InChI Key: | UAQLRTUPUQSLFF-UHFFFAOYSA-N |