2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-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}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-7442 |
| Compound Name: | 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 474.5 |
| Molecular Formula: | C22 H18 N8 O3 S |
| Smiles: | Cc1cc(C)nc2c1c1c(c3nc(c4ccc(Cn5c(C)c(c(C)n5)[N+]([O-])=O)o4)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6498 |
| logD: | 3.5042 |
| logSw: | -4.0874 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.93 |
| InChI Key: | AAZFFNKMSKZBKT-UHFFFAOYSA-N |