N-(butan-2-yl)-1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
N-(butan-2-yl)-1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V007-7781 |
| Compound Name: | N-(butan-2-yl)-1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 555.65 |
| Molecular Formula: | C27 H33 N5 O6 S |
| Smiles: | CCC(C)NC(c1c(C)c(n(c2cc(C)ccc2C)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9198 |
| logD: | 4.9198 |
| logSw: | -4.6325 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.484 |
| InChI Key: | LTONJSYNNZDLRG-IBGZPJMESA-N |