(E)-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Formula:C22H15N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C22H15N3O4S
Smiles	O=C(/C=C/c1ccco1)NC(Nc1cc(N(C(c2c3cccc2)=O)C3=O)ccc1)=S
InChI	InChI=1S/C22H15N3O4S/c26-19(11-10-16-7-4-12-29-16)24-22(30)23-14-5-3-6-15(13-14)25-20(27)17-8-1-2-9-18(17)21(25)28/h1-13H,(H2,23,24,26,30)
InChIK	OGYLKCUCKWCEHA-UHFFFAOYSA-N
TotalMolweight	417.444
Molweight	417.444
MonoisotopicMass	417.078327
CLogP	3.3366
CLogS	-5.579
H Acceptors	7
H Donors	2
TotalSurfaceArea	314.65
Relative PSA	0.34229
PolarSurfaceArea	123.74
Druglikeness	0.82265
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	5
Amides	2
StereoCon

Click to Load Molecule:

1 - (E)-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Request More Details | (E)-N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments