methyl 9-methyl-2-{5-[(4-methyl-2-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-methyl-2-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-methyl-2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3037 |
| Compound Name: | methyl 9-methyl-2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C22 H17 N5 O6 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(c2nc3c4c(C)c(C(=O)OC)sc4ncn3n2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4339 |
| logD: | 4.4303 |
| logSw: | -4.6377 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 100.529 |
| InChI Key: | XQRRSESDGIOLRN-UHFFFAOYSA-N |