2-(thiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane
Chemical Structure Depiction of
2-(thiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane
2-(thiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane
Compound characteristics
| Compound ID: | J006-2041 |
| Compound Name: | 2-(thiophen-2-yl)-1-[(3,4,5-trimethoxyphenyl)methyl]azepane |
| Molecular Weight: | 361.5 |
| Molecular Formula: | C20 H27 N O3 S |
| Smiles: | COc1cc(CN2CCCCCC2c2cccs2)cc(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0597 |
| logD: | 1.13 |
| logSw: | -4.0944 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8864 |
| InChI Key: | NPLFZGXJBZNHGY-INIZCTEOSA-N |