3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-methylphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-methylphenyl)prop-2-en-1-one
3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-methylphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D009-0541 |
| Compound Name: | 3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-methylphenyl)prop-2-en-1-one |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C27 H32 N2 O2 |
| Smiles: | Cc1ccc(cc1)C(/C=C/c1cn(CC(CN2CCCCCC2)O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8712 |
| logD: | 3.5899 |
| logSw: | -4.4086 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.901 |
| InChI Key: | QSDXBTUAMQQWDX-XMMPIXPASA-N |