1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V029-9722 |
| Compound Name: | 1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 625.62 |
| Molecular Formula: | C27 H30 F3 N5 O7 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(NCc2cccc(c2)C(F)(F)F)=O)nn(c1Oc1ccc(cc1S(N1CCOCC1)(=O)=O)[N+]([O-])=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.3057 |
| logD: | 4.3056 |
| logSw: | -4.4314 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.581 |
| InChI Key: | RQTGJKIPEDVGPZ-UHFFFAOYSA-N |