N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0447 |
| Compound Name: | N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C28 H39 N5 O2 |
| Smiles: | C1CC(CCNC(CCN(C1)Cc1ccncc1)=O)C(NCCCN1CCCc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.305 |
| logD: | 1.2368 |
| logSw: | -1.7657 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.821 |
| InChI Key: | JWTGBERTDYYPSV-VWLOTQADSA-N |