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

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

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H16N5OCl2FS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1cc(F)ccc1
InChI	InChI=1S/C23H16Cl2FN5OS/c24-17-6-4-16(5-7-17)22-29-30-23(31(22)20-10-8-18(25)9-11-20)33-14-21(32)28-27-13-15-2-1-3-19(26)12-15/h1-13H,14H2,(H,28,32)
InChIK	VBHABKYMPJRGHA-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 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide

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