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

Formula:C23H18N5OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H18N5OFS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(cc1)ccc1F
InChI	InChI=1S/C23H18FN5OS/c24-19-13-11-17(12-14-19)15-25-26-21(30)16-31-23-28-27-22(18-7-3-1-4-8-18)29(23)20-9-5-2-6-10-20/h1-15H,16H2,(H,26,30)
InChIK	VYZPHYOIJOOUGU-UHFFFAOYSA-N
TotalMolweight	431.494
Molweight	431.494
MonoisotopicMass	431.121608
CLogP	4.6326
CLogS	-8.73
H Acceptors	6
H Donors	1
TotalSurfaceArea	330.83
Relative PSA	0.2488
PolarSurfaceArea	97.47
Druglikeness	4.0855
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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