N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methoxy-3-(phenylsulfanyl)-1H-indole-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methoxy-3-(phenylsulfanyl)-1H-indole-2-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methoxy-3-(phenylsulfanyl)-1H-indole-2-carboxamide
Compound characteristics
| Compound ID: | E018-1949 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methoxy-3-(phenylsulfanyl)-1H-indole-2-carboxamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C28 H29 N3 O2 S |
| Smiles: | COc1ccc2c(c(C(NCCCN3CCc4ccccc4C3)=O)[nH]c2c1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.177 |
| logD: | 4.0272 |
| logSw: | -5.1104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.529 |
| InChI Key: | RXQRTWKODVKZJA-UHFFFAOYSA-N |