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(E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-phenylprop-2-enamide

Formula:C29H32N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-phenylprop-2-enamide is not a drug-like molecule.
MolName(E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-phenylprop-2-enamide
MolecularFormulaC29H32N2O2S
SmilesO=C(CN(C1CCCCC1)C(/C=C/c1ccccc1)=O)N(Cc1cccs1)Cc1ccccc1
InChIInChI=1S/C29H32N2O2S/c32-28(19-18-24-11-4-1-5-12-24)31(26-15-8-3-9-16-26)23-29(33)30(22-27-17-10-20-34-27)21-25-13-6-2-7-14-25/h1-2,4-7,10-14,17-20,26H,3,8-9,15-16,21-23H2
InChIKLHLIUSBACOQMLT-UHFFFAOYSA-N
TotalMolweight472.651
Molweight472.651
MonoisotopicMass472.218448
CLogP5.3028
CLogS-5.264
H Acceptors4
TotalSurfaceArea380.4
Relative PSA0.14075
PolarSurfaceArea68.86
Druglikeness-0.93853
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.47059
Fragments1
Non HAtoms34
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms9
Symmetricatoms6
Amides2
StereoCon

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