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

Formula:C23H15N5OBrCl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-bromo-2-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)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H15N5OBrCl2FS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c(cc(cc1)Br)c1F
InChI	InChI=1S/C23H15BrCl2FN5OS/c24-16-3-10-20(27)15(11-16)12-28-29-21(33)13-34-23-31-30-22(14-1-4-17(25)5-2-14)32(23)19-8-6-18(26)7-9-19/h1-12H,13H2,(H,29,33)
InChIK	RTJLYMVDFUQXBS-UHFFFAOYSA-N
TotalMolweight	579.28
Molweight	579.28
MonoisotopicMass	576.954173
CLogP	6.5698
CLogS	-11.036
H Acceptors	6
H Donors	1
TotalSurfaceArea	380.3
Relative PSA	0.21643
PolarSurfaceArea	97.47
Druglikeness	2.3189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments