methyl 4-{[2-(thiophen-2-yl)azepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(thiophen-2-yl)azepane-1-carbonyl]amino}benzoate
methyl 4-{[2-(thiophen-2-yl)azepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J007-0798 |
| Compound Name: | methyl 4-{[2-(thiophen-2-yl)azepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(N1CCCCCC1c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2231 |
| logD: | 4.2231 |
| logSw: | -4.0807 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.653 |
| InChI Key: | MTEKOGUSNWEBTB-INIZCTEOSA-N |