3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D009-0577 |
| Compound Name: | 3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C28 H34 N2 O4 |
| Smiles: | COc1ccc(cc1OC)C(/C=C/c1cn(CC(CN2CCCCCC2)O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.146 |
| logD: | 2.8647 |
| logSw: | -4.1433 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.161 |
| InChI Key: | USVHPNWTMYAFGW-HSZRJFAPSA-N |