5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-2946 |
| Compound Name: | 5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 544.59 |
| Molecular Formula: | C25 H31 F3 N2 O6 S |
| Smiles: | CC(C)(C)NC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.201 |
| logD: | 4.201 |
| logSw: | -4.3836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.549 |
| InChI Key: | ADDYKAHMOTYENP-LJQANCHMSA-N |