5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6724 |
| Compound Name: | 5-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C24 H24 F3 N O5 S2 |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4211 |
| logD: | 5.4211 |
| logSw: | -5.5405 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.275 |
| InChI Key: | QNWRUAVOBYBSDL-INIZCTEOSA-N |