5-{[4-butyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[4-butyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[4-butyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-2513 |
| Compound Name: | 5-{[4-butyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 563.64 |
| Molecular Formula: | C29 H32 F3 N O5 S |
| Smiles: | CCCCc1ccc(cc1)C(N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9557 |
| logD: | 6.9557 |
| logSw: | -5.7961 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.672 |
| InChI Key: | UMIIYHSWEGDYPH-UHFFFAOYSA-N |