methyl 4-{[2-(thiophen-2-yl)azepan-1-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(thiophen-2-yl)azepan-1-yl]methyl}benzoate
methyl 4-{[2-(thiophen-2-yl)azepan-1-yl]methyl}benzoate
Compound characteristics
| Compound ID: | J006-0341 |
| Compound Name: | methyl 4-{[2-(thiophen-2-yl)azepan-1-yl]methyl}benzoate |
| Molecular Weight: | 329.46 |
| Molecular Formula: | C19 H23 N O2 S |
| Smiles: | COC(c1ccc(CN2CCCCCC2c2cccs2)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4891 |
| logD: | 4.1404 |
| logSw: | -4.1634 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.0823 |
| InChI Key: | PKOJGKBOPJFURY-KRWDZBQOSA-N |