1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V025-8267 |
| Compound Name: | 1-tert-butyl-N-(4-fluorophenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 545.59 |
| Molecular Formula: | C25 H28 F N5 O6 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)F)=O)nn(c1Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.6037 |
| logD: | 4.6025 |
| logSw: | -4.4776 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.717 |
| InChI Key: | BNWGGMMLJQPOJN-UHFFFAOYSA-N |