3-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0921 |
| Compound Name: | 3-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 574.63 |
| Molecular Formula: | C31 H34 N4 O7 |
| Smiles: | CCOc1ccc(cc1)C1C(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)c2ccccc2C(N1CCN1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8454 |
| logD: | 3.2964 |
| logSw: | -3.8551 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.05 |
| InChI Key: | BTUQPSHMEDSOGO-UHFFFAOYSA-N |