N-(4-chloro-2-fluorophenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-(4-chloro-2-fluorophenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | G791-0896 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C23 H20 Cl F N2 O3 S |
| Smiles: | Cc1ccc(cc1)S(N1Cc2ccccc2CC1C(Nc1ccc(cc1F)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6732 |
| logD: | 4.573 |
| logSw: | -5.8506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.475 |
| InChI Key: | VDJOHIMNSFDRKD-QFIPXVFZSA-N |