(5E)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Formula:C24H18N3O2Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5E)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C24H18N3O2Cl3S
Smiles	O=C1N=C(N(CC2)CCN2c(cc2)ccc2Cl)S/C1=C/c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C24H18Cl3N3O2S/c25-15-1-4-17(5-2-15)29-9-11-30(12-10-29)24-28-23(31)22(33-24)14-18-6-8-21(32-18)19-13-16(26)3-7-20(19)27/h1-8,13-14H,9-12H2
InChIK	PZSTZYPLOVCNRL-UHFFFAOYSA-N
TotalMolweight	518.851
Molweight	518.851
MonoisotopicMass	517.018528
CLogP	5.9465
CLogS	-7.925
H Acceptors	5
TotalSurfaceArea	360.29
Relative PSA	0.17555
PolarSurfaceArea	74.35
Druglikeness	6.99
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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1 - (5E)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

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