9-ethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-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-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-ethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-4783 |
| Compound Name: | 9-ethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C21 H19 N7 O3 S |
| Smiles: | CCC1CCc2c3c4nc(c5ccc(Cn6cc(cn6)[N+]([O-])=O)o5)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1147 |
| logD: | 4.1147 |
| logSw: | -4.3302 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.304 |
| InChI Key: | FZCNUOMUCXRGLW-GFCCVEGCSA-N |