N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C23H16N5OCl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H16N5OCl2FS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)N/N=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C23H16Cl2FN5OS/c24-16-11-9-15(10-12-16)22-29-30-23(31(22)17-5-2-1-3-6-17)33-14-21(32)28-27-13-18-19(25)7-4-8-20(18)26/h1-13H,14H2,(H,28,32)
InChIK	QGMZPTXACLYMBD-UHFFFAOYSA-N
TotalMolweight	500.384
Molweight	500.384
MonoisotopicMass	499.043662
CLogP	5.8446
CLogS	-10.202
H Acceptors	6
H Donors	1
TotalSurfaceArea	361.67
Relative PSA	0.22758
PolarSurfaceArea	97.47
Druglikeness	4.1089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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