2,4-dichloro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide

Formula:C21H21N3OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2,4-dichloro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide is not a drug-like molecule.

MolName	2,4-dichloro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide
MolecularFormula	C21H21N3OCl2S
Smiles	O=C(c(ccc(Cl)c1)c1Cl)NC(N1CCN(C/C=C/c2ccccc2)CC1)=S
InChI	InChI=1S/C21H21Cl2N3OS/c22-17-8-9-18(19(23)15-17)20(27)24-21(28)26-13-11-25(12-14-26)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,24,27,28)
InChIK	LUDQOLLXZLHEES-UHFFFAOYSA-N
TotalMolweight	434.39
Molweight	434.39
MonoisotopicMass	433.078236
CLogP	5.017
CLogS	-4.685
H Acceptors	4
H Donors	1
TotalSurfaceArea	328.18
Relative PSA	0.18161
PolarSurfaceArea	67.67
Druglikeness	6.3717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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