N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide
N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | J007-0744 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-2-(thiophen-2-yl)azepane-1-carboxamide |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | COc1cc(ccc1NC(N1CCCCCC1c1cccs1)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3438 |
| logD: | 4.3431 |
| logSw: | -4.2647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.794 |
| InChI Key: | UOBNVOYGWGKOEJ-HNNXBMFYSA-N |