1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V004-1110 |
| Compound Name: | 1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 557.63 |
| Molecular Formula: | C26 H31 N5 O7 S |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(NCCOC)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1061 |
| logD: | 4.1061 |
| logSw: | -4.3676 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.227 |
| InChI Key: | QORQUAXJUSXVIK-UHFFFAOYSA-N |