ethyl 4-(7-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(7-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
ethyl 4-(7-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C447-1543 |
| Compound Name: | ethyl 4-(7-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate |
| Molecular Weight: | 568.69 |
| Molecular Formula: | C29 H36 N4 O6 S |
| Smiles: | CCOC(N1CCC(CC1)N1Cc2cccc(C(Nc3ccc(cc3)S(N3CCCCCC3)(=O)=O)=O)c2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1359 |
| logD: | 4.115 |
| logSw: | -4.1276 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.185 |
| InChI Key: | KRLIKLJPTSDXIA-UHFFFAOYSA-N |