3-(3,4-dimethoxyphenyl)-1-methyl-N-(2-methyl-3-nitrophenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-methyl-N-(2-methyl-3-nitrophenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
3-(3,4-dimethoxyphenyl)-1-methyl-N-(2-methyl-3-nitrophenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | C453-0429 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-methyl-N-(2-methyl-3-nitrophenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(c1cc2c(c3ccc(c(c3)OC)OC)nn(C)c2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0949 |
| logD: | 4.0932 |
| logSw: | -4.4029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.091 |
| InChI Key: | FKTBUWOMNBVIPW-UHFFFAOYSA-N |