methyl 4-{[2-(4-ethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-ethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
methyl 4-{[2-(4-ethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 8257-0032 |
| Compound Name: | methyl 4-{[2-(4-ethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C26 H26 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)S(N1Cc2ccccc2CC1C(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7891 |
| logD: | 4.7407 |
| logSw: | -4.4315 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.471 |
| InChI Key: | QYNAMBUDSPVWOJ-DEOSSOPVSA-N |