N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

Formula:C18H13N3OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is not a drug-like molecule.

MolNameN-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
MolecularFormulaC18H13N3OCl2S2
SmilesO=C(CSc1nc(-c(cc2)ccc2Cl)cs1)N/N=C\c(cccc1)c1Cl
InChIInChI=1S/C18H13Cl2N3OS2/c19-14-7-5-12(6-8-14)16-10-25-18(22-16)26-11-17(24)23-21-9-13-3-1-2-4-15(13)20/h1-10H,11H2,(H,23,24)
InChIKYHTRYRBLEOJKSV-UHFFFAOYSA-N
TotalMolweight422.359
Molweight422.359
MonoisotopicMass420.987706
CLogP5.7014
CLogS-7.115
H Acceptors4
H Donors1
TotalSurfaceArea303.54
Relative PSA0.27947
PolarSurfaceArea107.89
Druglikeness5.795
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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