N-(butan-2-yl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-phenyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-phenyl-1H-pyrazole-3-carboxamide
N-(butan-2-yl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-phenyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V023-4073 |
| Compound Name: | N-(butan-2-yl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-phenyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C25 H29 N5 O6 S |
| Smiles: | CCC(C)NC(c1c(C)c(n(c2ccccc2)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8395 |
| logD: | 3.8395 |
| logSw: | -3.9692 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.785 |
| InChI Key: | FJEDFJOMJYKRJI-KRWDZBQOSA-N |