2-(diethylamino)ethyl 4-{[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
2-(diethylamino)ethyl 4-{[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E456-0207 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C28 H31 N3 O4 S |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1796 |
| logD: | 3.2112 |
| logSw: | -4.0794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.257 |
| InChI Key: | MZLZWLUOUXYYCX-UHFFFAOYSA-N |