N-(2H-1,3-benzodioxol-5-yl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-1034 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | Cc1ccc(C2CCCCCN2C(Nc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6739 |
| logD: | 4.6739 |
| logSw: | -4.3285 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.595 |
| InChI Key: | NNMDBAHRADABPD-HNNXBMFYSA-N |