9-ethyl-2-[(4-nitrophenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-ethyl-2-[(4-nitrophenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-ethyl-2-[(4-nitrophenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y508-4827 |
| Compound Name: | 9-ethyl-2-[(4-nitrophenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | CCC1CCc2c3c4nc(COc5ccc(cc5)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5342 |
| logD: | 4.5342 |
| logSw: | -4.5925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.447 |
| InChI Key: | XFNPRKNGNHOBTA-GFCCVEGCSA-N |