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

Formula:C23H19N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
MolecularFormula	C23H19N5O2S
Smiles	Oc1cccc(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)=O)c1
InChI	InChI=1S/C23H19N5O2S/c29-20-13-7-8-17(14-20)15-24-25-21(30)16-31-23-27-26-22(18-9-3-1-4-10-18)28(23)19-11-5-2-6-12-19/h1-15,29H,16H2,(H,25,30)
InChIK	ZGUMSAGQHQPOKL-UHFFFAOYSA-N
TotalMolweight	429.503
Molweight	429.503
MonoisotopicMass	429.125945
CLogP	4.1861
CLogS	-8.12
H Acceptors	7
H Donors	2
TotalSurfaceArea	330.83
Relative PSA	0.2884
PolarSurfaceArea	117.7
Druglikeness	5.4058
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
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	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments