5-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-5074 |
| Compound Name: | 5-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 583.63 |
| Molecular Formula: | C31 H28 F3 N O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(c1ccc(cc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7052 |
| logD: | 6.7052 |
| logSw: | -5.9455 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.4 |
| InChI Key: | VAWBIILEVOBSBU-UHFFFAOYSA-N |