8-methyl-2-[(4-nitrophenoxy)methyl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
8-methyl-2-[(4-nitrophenoxy)methyl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8-methyl-2-[(4-nitrophenoxy)methyl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y503-3323 |
| Compound Name: | 8-methyl-2-[(4-nitrophenoxy)methyl]-9-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C21 H15 N5 O3 S |
| Smiles: | Cc1c(c2ccccc2)c2c3nc(COc4ccc(cc4)[N+]([O-])=O)nn3cnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6602 |
| logD: | 4.6595 |
| logSw: | -4.8251 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.719 |
| InChI Key: | WXUJGQZMWRDRDO-UHFFFAOYSA-N |