N-[(4-ethylphenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-[(4-ethylphenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
Compound ID: | G791-0951 |
Compound Name: | N-[(4-ethylphenyl)methyl]-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Molecular Weight: | 448.58 |
Molecular Formula: | C26 H28 N2 O3 S |
Smiles: | CCc1ccc(CNC(C2Cc3ccccc3CN2S(c2ccc(C)cc2)(=O)=O)=O)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.284 |
logD: | 5.2837 |
logSw: | -5.1267 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.495 |
InChI Key: | AECOZHBNRWSDME-VWLOTQADSA-N |