methyl 4-{[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
methyl 4-{[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 6143-0164 |
| Compound Name: | methyl 4-{[2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C22 H20 N2 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(C1Cc2ccccc2CN1S(c1cccs1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0572 |
| logD: | 4.0404 |
| logSw: | -4.1876 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.366 |
| InChI Key: | WLHDPJUEOKTQKY-IBGZPJMESA-N |