N-{[4-(methylsulfanyl)phenyl]methyl}-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
Compound ID: | P368-0456 |
Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-propanoyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
Molecular Weight: | 368.5 |
Molecular Formula: | C21 H24 N2 O2 S |
Smiles: | [H]c1cccc2C(C(NCc3ccc(cc3)SC)=O)N(CCc12)C(CC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5974 |
logD: | 3.5974 |
logSw: | -3.5797 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.29 |
InChI Key: | JGFWGTGMMKHSQT-HXUWFJFHSA-N |