3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-bromophenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-bromophenyl)prop-2-en-1-one
3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-bromophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D009-0550 |
| Compound Name: | 3-{1-[3-(azepan-1-yl)-2-hydroxypropyl]-1H-indol-3-yl}-1-(4-bromophenyl)prop-2-en-1-one |
| Molecular Weight: | 481.43 |
| Molecular Formula: | C26 H29 Br N2 O2 |
| Smiles: | C1CCCN(CC1)CC(Cn1cc(/C=C/C(c2ccc(cc2)[Br])=O)c2ccccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2817 |
| logD: | 4.0004 |
| logSw: | -5.4158 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.901 |
| InChI Key: | QZQFSLDSRMMLOQ-HSZRJFAPSA-N |