(E)-3-phenyl-N-[[4-[[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide

Formula:C32H26N4O2S4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-phenyl-N-[[4-[[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-phenyl-N-[[4-[[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide
MolecularFormula	C32H26N4O2S4
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)ccc1SSc(cc1)ccc1NC(NC(/C=C/c1ccccc1)=O)=S)=S
InChI	InChI=1S/C32H26N4O2S4/c37-29(21-11-23-7-3-1-4-8-23)35-31(39)33-25-13-17-27(18-14-25)41-42-28-19-15-26(16-20-28)34-32(40)36-30(38)22-12-24-9-5-2-6-10-24/h1-22H,(H2,33,35,37,39)(H2,34,36,38,40)
InChIK	ZKXMHSPYCHILJH-UHFFFAOYSA-N
TotalMolweight	626.848
Molweight	626.848
MonoisotopicMass	626.093856
CLogP	7.1006
CLogS	-8.418
H Acceptors	6
H Donors	4
TotalSurfaceArea	487.28
Relative PSA	0.3343
PolarSurfaceArea	197.04
Druglikeness	-0.5015
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.71429
Fragments	1
Non HAtoms	42
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	25
Amides	2
StereoCon

Click to Load Molecule:

1 - (E)-3-phenyl-N-[[4-[[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[[4-[[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide

Request More Details | (E)-3-phenyl-N-[[4-[[4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments