methyl 2-{[2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E456-0387 |
| Compound Name: | methyl 2-{[2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C25 H24 N2 O5 S |
| Smiles: | COCCN1C(C(C(Nc2ccccc2C(=O)OC)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5219 |
| logD: | 3.1626 |
| logSw: | -3.6661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.829 |
| InChI Key: | ZUXMWAHGXXHXEN-UHFFFAOYSA-N |