methyl 9-methyl-2-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 9-methyl-2-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 9-methyl-2-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y503-3369 |
| Compound Name: | methyl 9-methyl-2-{3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C24 H19 N5 O5 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1cccc(c1)c1nc2c3c(C)c(C(=O)OC)sc3ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1188 |
| logD: | 5.1146 |
| logSw: | -5.317 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.688 |
| InChI Key: | VNZRZECNBSCYME-UHFFFAOYSA-N |