8,9-dimethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
8,9-dimethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
8,9-dimethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-6229 |
| Compound Name: | 8,9-dimethyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 395.4 |
| Molecular Formula: | C17 H13 N7 O3 S |
| Smiles: | Cc1c2c3nc(c4ccc(Cn5cc(cn5)[N+]([O-])=O)o4)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.9732 |
| logD: | 2.969 |
| logSw: | -3.2606 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 86.848 |
| InChI Key: | BCAMOMNMNVBHFY-UHFFFAOYSA-N |