3-{[N-(2-methylpropyl)heptanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methylpropyl)heptanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[N-(2-methylpropyl)heptanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-2542 |
| Compound Name: | 3-{[N-(2-methylpropyl)heptanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H32 F3 N O4 S |
| Smiles: | CCCCCCC(N(CC(C)C)Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6786 |
| logD: | 6.6786 |
| logSw: | -5.7323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | CFHVLTZPFOXBQR-UHFFFAOYSA-N |