(E)-N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide

Formula:C27H26N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide
MolecularFormula	C27H26N2O4S
Smiles	C=CCN(CC(N(Cc1cccs1)Cc(cc1)cc2c1OCO2)=O)C(/C=C/c1ccccc1)=O
InChI	InChI=1S/C27H26N2O4S/c1-2-14-28(26(30)13-11-21-7-4-3-5-8-21)19-27(31)29(18-23-9-6-15-34-23)17-22-10-12-24-25(16-22)33-20-32-24/h2-13,15-16H,1,14,17-20H2
InChIK	YITONBCUTAIVDD-UHFFFAOYSA-N
TotalMolweight	474.579
Molweight	474.579
MonoisotopicMass	474.161328
CLogP	4.5337
CLogS	-4.91
H Acceptors	6
TotalSurfaceArea	371.16
Relative PSA	0.19814
PolarSurfaceArea	87.32
Druglikeness	1.4114
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - (E)-N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide | 2 - (E)-N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide

Request More Details | (E)-N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments