2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-7087 |
| Compound Name: | 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C19 H17 N7 O3 S |
| Smiles: | Cc1c2c3nc(c4ccc(Cn5c(C)c(c(C)n5)[N+]([O-])=O)o4)nn3cnc2sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.2823 |
| logD: | 3.2781 |
| logSw: | -3.7159 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 86.022 |
| InChI Key: | HHRJJYXORGHGGF-UHFFFAOYSA-N |