N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1483 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C23 H36 N4 O4 S |
| Smiles: | CS(N1CCCC(CCNC(CC1)=O)C(NCCCN1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1512 |
| logD: | -1.0528 |
| logSw: | -2.217 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.967 |
| InChI Key: | LVSYPMPVHFMVOZ-FQEVSTJZSA-N |