1-[2-methyl-5-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-methyl-5-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
1-[2-methyl-5-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | E684-0441 |
| Compound Name: | 1-[2-methyl-5-(4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one |
| Molecular Weight: | 578.65 |
| Molecular Formula: | C28 H33 F3 N4 O4 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(N1CCC(CC1)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5899 |
| logD: | 3.5898 |
| logSw: | -3.8776 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.215 |
| InChI Key: | JJTNMFNLFROQIK-LJQANCHMSA-N |