N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1877 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C26 H38 N6 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCC(CCNC(CC1)=O)C(NCCCN1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0481 |
| logD: | -1.2521 |
| logSw: | -2.3204 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.614 |
| InChI Key: | BPLORBHXJVNBJM-QFIPXVFZSA-N |