2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 7790-0764 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(CSc1nc2ccccc2o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8953 |
| logD: | 4.8953 |
| logSw: | -4.6634 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.258 |
| InChI Key: | YRMORVUAHMORAG-VWLOTQADSA-N |