N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Formula:C26H28N4S Mutagenic:high Tumorigenic:high Reproductive Effective:high N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide is not a drug-like molecule.

MolName	N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
MolecularFormula	C26H28N4S
Smiles	S=C(Nc(cc1)ccc1Nc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C26H28N4S/c31-26(28-25-15-13-24(14-16-25)27-23-11-5-2-6-12-23)30-20-18-29(19-21-30)17-7-10-22-8-3-1-4-9-22/h1-16,27H,17-21H2,(H,28,31)
InChIK	ZBOIPRCCXAOPMC-UHFFFAOYSA-N
TotalMolweight	428.602
Molweight	428.602
MonoisotopicMass	428.203466
CLogP	5.5436
CLogS	-4.846
H Acceptors	4
H Donors	2
TotalSurfaceArea	350.81
Relative PSA	0.16539
PolarSurfaceArea	62.63
Druglikeness	5.6654
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.70968
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	8
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide | 2 - N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Request More Details | N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments