9-methyl-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-methyl-2-[(4-nitrophenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-methyl-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: | Y502-1503 |
| Compound Name: | 9-methyl-2-[(4-nitrophenoxy)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | CC1CCc2c3c4nc(COc5ccc(cc5)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9887 |
| logD: | 3.9887 |
| logSw: | -4.3572 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.447 |
| InChI Key: | GIIXFLWDBOWUFL-LLVKDONJSA-N |