ethyl 3-{[5-(azepane-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[5-(azepane-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate
ethyl 3-{[5-(azepane-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F561-0269 |
| Compound Name: | ethyl 3-{[5-(azepane-1-sulfonyl)thiophene-2-carbonyl]amino}benzoate |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C20 H24 N2 O5 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(c1ccc(s1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6129 |
| logD: | 4.6124 |
| logSw: | -4.1968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.144 |
| InChI Key: | JUIKCAZYIWOMTO-UHFFFAOYSA-N |