N-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide

Formula:C18H13N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide is a drug-like molecule.

MolNameN-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide
MolecularFormulaC18H13N3O2Cl2S
SmilesO=C(CCl)N(C(c(cc1)ccc1Cl)=CS1)/C1=N/NC(c1ccccc1)=O
InChIInChI=1S/C18H13Cl2N3O2S/c19-10-16(24)23-15(12-6-8-14(20)9-7-12)11-26-18(23)22-21-17(25)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,25)
InChIKJVNXERWAOFKPHB-UHFFFAOYSA-N
TotalMolweight406.292
Molweight406.292
MonoisotopicMass405.010551
CLogP4.7662
CLogS-5.659
H Acceptors5
H Donors1
TotalSurfaceArea286.55
Relative PSA0.2446
PolarSurfaceArea87.07
Druglikeness4.6101
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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