1-ethyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-ethyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
1-ethyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V030-1759 |
| Compound Name: | 1-ethyl-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C21 H29 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCn1c(c(C)c(C(NCC(C)C)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9524 |
| logD: | 2.9524 |
| logSw: | -3.5996 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.204 |
| InChI Key: | AYJMBWRRXWHDHE-UHFFFAOYSA-N |