ethyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate
ethyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J007-0440 |
| Compound Name: | ethyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C21 H26 N2 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCCCCC1c1ccc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4422 |
| logD: | 5.4422 |
| logSw: | -5.1876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.233 |
| InChI Key: | IKHUQFZYLSQTCO-SFHVURJKSA-N |