| CID | 5035 |
|---|---|
| CAS | 84449-90-1 |
| InChI | InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13, 18, 30-31H, 1-3, 14-17H2 |
| InChIKey | GZUITABIAKMVPG-UHFFFAOYSA-N |
| Canonical SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O |
| IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone |
| Molecular Formula | C28H27NO4S |
| Molecular Weight | 473.6 |
| Monoisotopic Mass | 473.16607952 |
| Polar Area | 98.2 |
| Complexity | 655 |
| XLogP | 6.1 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
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