(E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-(4-nitrophenyl)prop-2-enamide

Formula:C29H31N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-(4-nitrophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C29H31N3O4S
Smiles	[O-][N+](c1ccc(/C=C/C(N(CC(N(Cc2cccs2)Cc2ccccc2)=O)C2CCCCC2)=O)cc1)=O
InChI	InChI=1S/C29H31N3O4S/c33-28(18-15-23-13-16-26(17-14-23)32(35)36)31(25-10-5-2-6-11-25)22-29(34)30(21-27-12-7-19-37-27)20-24-8-3-1-4-9-24/h1,3-4,7-9,12-19,25H,2,5-6,10-11,20-22H2
InChIK	SQWBBTJQYCKDCP-UHFFFAOYSA-N
TotalMolweight	517.648
Molweight	517.648
MonoisotopicMass	517.203527
CLogP	4.3812
CLogS	-5.724
H Acceptors	7
TotalSurfaceArea	404.07
Relative PSA	0.20779
PolarSurfaceArea	114.68
Druglikeness	-5.9571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	10
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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1 - (E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-(4-nitrophenyl)prop-2-enamide | 2 - (E)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-(4-nitrophenyl)prop-2-enamide

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