1-{1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-{1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
1-{1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | 5646-0285 |
| Compound Name: | 1-{1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromo-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 431.25 |
| Molecular Formula: | C18 H18 Br F3 N2 O2 |
| Smiles: | C1CCCN(CC1)C(Cn1cc(C(C(F)(F)F)=O)c2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1815 |
| logD: | 4.1815 |
| logSw: | -4.1121 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.433 |
| InChI Key: | HOMZNWKHRFOTDB-UHFFFAOYSA-N |