1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V030-2930 |
| Compound Name: | 1-(4-methoxyphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 675.64 |
| Molecular Formula: | C30 H28 F3 N5 O8 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(NCc2cccc(c2)C(F)(F)F)=O)nn(c2ccc(cc2)OC)c1Oc1ccc(cc1S(N1CCOCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8406 |
| logD: | 4.8406 |
| logSw: | -4.7522 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.159 |
| InChI Key: | XQPQYWMNAKTPRN-UHFFFAOYSA-N |