1-{5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl}ethan-1-one
1-{5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | D016-0550 |
| Compound Name: | 1-{5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl}ethan-1-one |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C27 H34 N2 O3 |
| Smiles: | CC(c1c2cc(ccc2n(c2ccc(C)cc2)c1C)OCC(CN1CCCCCC1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0287 |
| logD: | 3.681 |
| logSw: | -4.6667 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.191 |
| InChI Key: | SAQYAGCBQLIWHZ-QHCPKHFHSA-N |