1-[(3-bromo-4-fluorophenyl)methyl]-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-[(3-bromo-4-fluorophenyl)methyl]-2-(thiophen-2-yl)azepane
1-[(3-bromo-4-fluorophenyl)methyl]-2-(thiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J006-2077 |
| Compound Name: | 1-[(3-bromo-4-fluorophenyl)methyl]-2-(thiophen-2-yl)azepane |
| Molecular Weight: | 368.31 |
| Molecular Formula: | C17 H19 Br F N S |
| Smiles: | C1CCC(c2cccs2)N(CC1)Cc1ccc(c(c1)[Br])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1058 |
| logD: | 4.8522 |
| logSw: | -5.4166 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 4.9085 |
| InChI Key: | XOHLJPRBHWCZQR-INIZCTEOSA-N |