(E)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C25H23N4O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C25H23N4O2ClS2
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)cc(Cl)c1N(CC1)CCN1C(c1cccs1)=O)=S
InChI	InChI=1S/C25H23ClN4O2S2/c26-20-17-19(27-25(33)28-23(31)11-8-18-5-2-1-3-6-18)9-10-21(20)29-12-14-30(15-13-29)24(32)22-7-4-16-34-22/h1-11,16-17H,12-15H2,(H2,27,28,31,33)
InChIK	MRBQMGAGYBFFSP-UHFFFAOYSA-N
TotalMolweight	511.069
Molweight	511.069
MonoisotopicMass	510.095093
CLogP	5.0702
CLogS	-5.846
H Acceptors	6
H Donors	2
TotalSurfaceArea	383.91
Relative PSA	0.2721
PolarSurfaceArea	125.01
Druglikeness	7.0377
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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1 - (E)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide

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