9-ethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-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-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-ethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-6217 |
| Compound Name: | 9-ethyl-2-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 397.46 |
| Molecular Formula: | C18 H19 N7 O2 S |
| Smiles: | CCC1CCc2c3c4nc(CCn5cc(cn5)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1696 |
| logD: | 3.1695 |
| logSw: | -3.4266 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.704 |
| InChI Key: | UZXPPNHCQQWDLA-LLVKDONJSA-N |