methyl 4-{[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
methyl 4-{[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 5069-0121 |
| Compound Name: | methyl 4-{[2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino}benzoate |
| Molecular Weight: | 468.5 |
| Molecular Formula: | C24 H21 F N2 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(C1Cc2ccccc2CN1S(c1ccc(cc1)F)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4492 |
| logD: | 4.4008 |
| logSw: | -4.267 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.347 |
| InChI Key: | OWNCDSJSWOFFDM-QFIPXVFZSA-N |