5-{[3-(trifluoromethoxy)phenyl]methyl}-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-{[3-(trifluoromethoxy)phenyl]methyl}-1,5-diazacycloundecan-2-one
5-{[3-(trifluoromethoxy)phenyl]methyl}-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S782-0170 |
| Compound Name: | 5-{[3-(trifluoromethoxy)phenyl]methyl}-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 344.38 |
| Molecular Formula: | C17 H23 F3 N2 O2 |
| Smiles: | C1CCCN(CCC(NCC1)=O)Cc1cccc(c1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2177 |
| logD: | 1.2183 |
| logSw: | -3.3507 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.262 |
| InChI Key: | JHTKZAPZZQTSFX-UHFFFAOYSA-N |