2-{[acetyl(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[acetyl(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2729 |
| Compound Name: | 2-{[acetyl(2-methoxyethyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 502.55 |
| Molecular Formula: | C23 H29 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCOC)C(C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9964 |
| logD: | 3.9857 |
| logSw: | -4.0939 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.094 |
| InChI Key: | URJIBBSSUMUSHT-UHFFFAOYSA-N |