ethyl 4-(5-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(5-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
ethyl 4-(5-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C429-0205 |
| Compound Name: | ethyl 4-(5-{[4-(azepane-1-sulfonyl)phenyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate |
| Molecular Weight: | 582.68 |
| Molecular Formula: | C29 H34 N4 O7 S |
| Smiles: | CCOC(N1CCC(CC1)N1C(c2ccc(cc2C1=O)C(Nc1ccc(cc1)S(N1CCCCCC1)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4672 |
| logD: | 4.2958 |
| logSw: | -4.2582 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.626 |
| InChI Key: | BORDCMXORZPMES-UHFFFAOYSA-N |