9-ethyl-2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)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-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-ethyl-2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-5547 |
| Compound Name: | 9-ethyl-2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 413.46 |
| Molecular Formula: | C18 H19 N7 O3 S |
| Smiles: | CCC1CCc2c3c4nc(Cn5cc(c(n5)OC)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2339 |
| logD: | 3.2338 |
| logSw: | -3.7792 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.502 |
| InChI Key: | UKCTXUWPGZPFBE-SNVBAGLBSA-N |