methyl 4-{[2-(3,4-dimethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(3,4-dimethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
methyl 4-{[2-(3,4-dimethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 6404-0258 |
| Compound Name: | methyl 4-{[2-(3,4-dimethoxybenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C26 H26 N2 O7 S |
| Smiles: | COC(c1ccc(cc1)NC(C1Cc2ccccc2CN1S(c1ccc(c(c1)OC)OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0264 |
| logD: | 3.978 |
| logSw: | -4.2113 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.608 |
| InChI Key: | FHNAEWLRCLGCMD-QFIPXVFZSA-N |