(E)-N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C27H28N4OS Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C27H28N4OS
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)ccc1N1CCN(Cc2ccccc2)CC1)=S
InChI	InChI=1S/C27H28N4OS/c32-26(16-11-22-7-3-1-4-8-22)29-27(33)28-24-12-14-25(15-13-24)31-19-17-30(18-20-31)21-23-9-5-2-6-10-23/h1-16H,17-21H2,(H2,28,29,32,33)
InChIK	KFXZZOARGZJURO-UHFFFAOYSA-N
TotalMolweight	456.612
Molweight	456.612
MonoisotopicMass	456.198381
CLogP	4.5152
CLogS	-4.971
H Acceptors	5
H Donors	2
TotalSurfaceArea	368.56
Relative PSA	0.1928
PolarSurfaceArea	79.7
Druglikeness	4.5871
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	8
Amides	1
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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