1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol--hydrogen chloride (1/1)
1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D117-0036 |
| Compound Name: | 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylnonan-3-ol--hydrogen chloride (1/1) |
| Molecular Weight: | 474.13 |
| Molecular Formula: | C29 H43 N O2 |
| Salt: | HCl |
| Smiles: | CCCCCCC(C(CN1CCCCCC1)c1ccccc1)(c1ccc(cc1)OCC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5957 |
| logD: | 6.5465 |
| logSw: | -5.7445 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.6896 |
| InChI Key: | CQLDWKCIBVFSBB-UHFFFAOYSA-N |