N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | G791-1076 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 476.93 |
| Molecular Formula: | C23 H19 Cl F2 N2 O3 S |
| Smiles: | C1C(C(NCc2ccc(cc2[Cl])F)=O)N(Cc2ccccc12)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.982 |
| logD: | 4.9811 |
| logSw: | -5.2047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.495 |
| InChI Key: | GEGJZPVEEYGNIT-QFIPXVFZSA-N |