1-tert-butyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
1-tert-butyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V029-9750 |
| Compound Name: | 1-tert-butyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C23 H33 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1c(C)c(n(C(C)(C)C)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7512 |
| logD: | 3.7512 |
| logSw: | -3.9831 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.311 |
| InChI Key: | NEJLEBZILUIYOA-UHFFFAOYSA-N |