ethyl 3-{[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
ethyl 3-{[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G791-0831 |
| Compound Name: | ethyl 3-{[2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C26 H26 N2 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(C1Cc2ccccc2CN1S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5348 |
| logD: | 5.5309 |
| logSw: | -5.3976 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.927 |
| InChI Key: | YQRYHRDFRSKILC-DEOSSOPVSA-N |