4-bromo-2-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol
Chemical Structure Depiction of
4-bromo-2-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol
4-bromo-2-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol
Compound characteristics
| Compound ID: | J006-1437 |
| Compound Name: | 4-bromo-2-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol |
| Molecular Weight: | 380.35 |
| Molecular Formula: | C18 H22 Br N O S |
| Smiles: | Cc1ccsc1C1CCCCCN1Cc1cc(ccc1O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3154 |
| logD: | 5.1047 |
| logSw: | -5.0859 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.4566 |
| InChI Key: | AMIIPLSKVZSRLT-INIZCTEOSA-N |