N-(2-cyanopropan-2-yl)-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
N-(2-cyanopropan-2-yl)-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
N-(2-cyanopropan-2-yl)-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
Compound ID: | 3347-0112 |
Compound Name: | N-(2-cyanopropan-2-yl)-2-(4-fluorobenzene-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Molecular Weight: | 401.46 |
Molecular Formula: | C20 H20 F N3 O3 S |
Smiles: | CC(C)(C#N)NC(C1Cc2ccccc2CN1S(c1ccc(cc1)F)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9736 |
logD: | 2.9736 |
logSw: | -3.3799 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.114 |
InChI Key: | UMIZFDFWTRGLJI-SFHVURJKSA-N |