ethyl N-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]alaninate
Chemical Structure Depiction of
ethyl N-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]alaninate
ethyl N-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]alaninate
Compound characteristics
| Compound ID: | E456-0258 |
| Compound Name: | ethyl N-[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]alaninate |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Smiles: | CCOC(C(C)NC(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0813 |
| logD: | 2.0813 |
| logSw: | -2.8862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.308 |
| InChI Key: | IOZRXNKFHUSUQY-UHFFFAOYSA-N |