1-benzyl-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea

Formula:C18H16N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-benzyl-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea is a drug-like molecule.

MolName	1-benzyl-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea
MolecularFormula	C18H16N4OS
Smiles	O=C1Nc(cccc2)c2N=C1/C=C/NC(NCc1ccccc1)=S
InChI	InChI=1S/C18H16N4OS/c23-17-16(21-14-8-4-5-9-15(14)22-17)10-11-19-18(24)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)(H2,19,20,24)
InChIK	HEIHLAQGBSXOMU-UHFFFAOYSA-N
TotalMolweight	336.418
Molweight	336.418
MonoisotopicMass	336.104481
CLogP	1.2974
CLogS	-3.859
H Acceptors	5
H Donors	3
TotalSurfaceArea	267.59
Relative PSA	0.32486
PolarSurfaceArea	97.61
Druglikeness	3.3068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - 1-benzyl-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea | 2 - 1-benzyl-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea

Request More Details | 1-benzyl-3-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]thiourea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments