1-(benzenesulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1685 |
| Compound Name: | 1-(benzenesulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C27 H36 N4 O4 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5279 |
| logD: | 1.0355 |
| logSw: | -2.4601 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.203 |
| InChI Key: | WYAAZHYFEWOGFL-QHCPKHFHSA-N |