4-chloro-2-{[2-(5-methylthiophen-2-yl)azepan-1-yl]methyl}phenol
Chemical Structure Depiction of
4-chloro-2-{[2-(5-methylthiophen-2-yl)azepan-1-yl]methyl}phenol
4-chloro-2-{[2-(5-methylthiophen-2-yl)azepan-1-yl]methyl}phenol
Compound characteristics
| Compound ID: | J006-1150 |
| Compound Name: | 4-chloro-2-{[2-(5-methylthiophen-2-yl)azepan-1-yl]methyl}phenol |
| Molecular Weight: | 335.89 |
| Molecular Formula: | C18 H22 Cl N O S |
| Smiles: | Cc1ccc(C2CCCCCN2Cc2cc(ccc2O)[Cl])s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3473 |
| logD: | 4.5945 |
| logSw: | -5.6733 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.4566 |
| InChI Key: | XKEBPOPQDZZNDE-INIZCTEOSA-N |