methyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate
methyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J007-0800 |
| Compound Name: | methyl 4-{[2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 372.48 |
| Molecular Formula: | C20 H24 N2 O3 S |
| Smiles: | Cc1ccc(C2CCCCCN2C(Nc2ccc(cc2)C(=O)OC)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9315 |
| logD: | 4.9315 |
| logSw: | -4.5016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.653 |
| InChI Key: | ACVNMXKEYSWUNP-KRWDZBQOSA-N |