4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C15H9N4BrF2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N4BrF2S
Smiles	Fc(cc1)ccc1C(N1/N=C\c(cc(cc2)Br)c2F)=NNC1=S
InChI	InChI=1S/C15H9BrF2N4S/c16-11-3-6-13(18)10(7-11)8-19-22-14(20-21-15(22)23)9-1-4-12(17)5-2-9/h1-8H,(H,21,23)
InChIK	RYODZLBXRUZTOE-UHFFFAOYSA-N
TotalMolweight	395.23
Molweight	395.23
MonoisotopicMass	393.969933
CLogP	4.2218
CLogS	-5.913
H Acceptors	4
H Donors	1
TotalSurfaceArea	253.05
Relative PSA	0.26094
PolarSurfaceArea	72.08
Druglikeness	0.46147
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione

Request More Details | 4-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments