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

Formula:C22H16N6OBrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C22H16N6OBrFS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Br)N/N=C\c(cccc1)c1F
InChI	InChI=1S/C22H16BrFN6OS/c23-17-5-7-18(8-6-17)30-21(15-9-11-25-12-10-15)28-29-22(30)32-14-20(31)27-26-13-16-3-1-2-4-19(16)24/h1-13H,14H2,(H,27,31)
InChIK	LPTGSTMQTMBBFE-UHFFFAOYSA-N
TotalMolweight	511.378
Molweight	511.378
MonoisotopicMass	510.027368
CLogP	4.3569
CLogS	-8.769
H Acceptors	7
H Donors	1
TotalSurfaceArea	348.22
Relative PSA	0.26788
PolarSurfaceArea	110.36
Druglikeness	2.2955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
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	4
StereoCon

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

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