3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D009-0571 |
| Compound Name: | 3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C27 H34 N2 O4 |
| Smiles: | CCCCN(C)CC(Cn1cc(/C=C/C(c2ccc(c(c2)OC)OC)=O)c2ccccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0884 |
| logD: | 2.8371 |
| logSw: | -4.0734 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.192 |
| InChI Key: | XKWCTPCDMGHMSE-QFIPXVFZSA-N |