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

Formula:C23H17N5OBrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H17N5OBrFS
Smiles	O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C\c(cc1)ccc1F
InChI	InChI=1S/C23H17BrFN5OS/c24-18-6-4-5-17(13-18)22-28-29-23(30(22)20-7-2-1-3-8-20)32-15-21(31)27-26-14-16-9-11-19(25)12-10-16/h1-14H,15H2,(H,27,31)
InChIK	KDTRMQVRSIHNPR-UHFFFAOYSA-N
TotalMolweight	510.39
Molweight	510.39
MonoisotopicMass	509.032119
CLogP	5.3578
CLogS	-9.564
H Acceptors	6
H Donors	1
TotalSurfaceArea	349.46
Relative PSA	0.23553
PolarSurfaceArea	97.47
Druglikeness	2.2955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments