{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(morpholin-4-yl)methanone
Chemical Structure Depiction of
{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(morpholin-4-yl)methanone
{1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | V008-3319 |
| Compound Name: | {1-tert-butyl-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(morpholin-4-yl)methanone |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C23 H31 N5 O7 S |
| Smiles: | Cc1c(C(N2CCOCC2)=O)nn(c1Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.567 |
| logD: | 2.567 |
| logSw: | -2.9033 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 112.183 |
| InChI Key: | XDQJUIZMPXHRAF-UHFFFAOYSA-N |