methyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
methyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G791-1134 |
| Compound Name: | methyl 2-{[2-(4-methoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C25 H24 N2 O6 S |
| Smiles: | COC(c1ccccc1NC(C1Cc2ccccc2CN1S(c1ccc(cc1)OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3349 |
| logD: | 3.0243 |
| logSw: | -4.3252 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.193 |
| InChI Key: | ZDXJLOZKVFHCJD-QHCPKHFHSA-N |