2-(5-methylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
Chemical Structure Depiction of
2-(5-methylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
2-(5-methylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-0674 |
| Compound Name: | 2-(5-methylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Smiles: | Cc1ccc(C2CCCCCN2C(Nc2cc(c(c(c2)OC)OC)OC)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2214 |
| logD: | 4.2213 |
| logSw: | -4.2051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.457 |
| InChI Key: | JWRLSMBETSTEHR-INIZCTEOSA-N |