N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Formula:C24H20N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C24H20N4O4S
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCc2c[nH]c3c2cccc3)=O)/NC(c2cccs2)=O)c1)=O
InChI	InChI=1S/C24H20N4O4S/c29-23(25-11-10-17-15-26-20-8-2-1-7-19(17)20)21(27-24(30)22-9-4-12-33-22)14-16-5-3-6-18(13-16)28(31)32/h1-9,12-15,26H,10-11H2,(H,25,29)(H,27,30)
InChIK	XULWINXXJWRCON-UHFFFAOYSA-N
TotalMolweight	460.513
Molweight	460.513
MonoisotopicMass	460.120526
CLogP	3.5477
CLogS	-5.796
H Acceptors	8
H Donors	3
TotalSurfaceArea	347.21
Relative PSA	0.32767
PolarSurfaceArea	148.05
Druglikeness	0.4335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide | 2 - N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Request More Details | N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments