methyl 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y502-3044 |
| Compound Name: | methyl 2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 467.46 |
| Molecular Formula: | C20 H17 N7 O5 S |
| Smiles: | Cc1c2c3nc(c4ccc(Cn5c(C)c(c(C)n5)[N+]([O-])=O)o4)nn3cnc2sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8813 |
| logD: | 2.8777 |
| logSw: | -3.3606 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 107.196 |
| InChI Key: | IWWXKWCCZNBOTE-UHFFFAOYSA-N |