9-ethyl-8-methyl-2-{5-[(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-[(2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-ethyl-8-methyl-2-{5-[(2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-9012 |
| Compound Name: | 9-ethyl-8-methyl-2-{5-[(2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | CCc1c2c3nc(c4ccc(COc5ccccc5[N+]([O-])=O)o4)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.923 |
| logD: | 4.9227 |
| logSw: | -4.9305 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.355 |
| InChI Key: | YBKGMZRDYQDEAE-UHFFFAOYSA-N |