4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]benzoate

Formula:C23H16N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]benzoate
MolecularFormula	C23H16N5O3
Smiles	[O-]C(c1ccc(/C=N\NC(c(nc2-c3ccccc3)nn2-c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C23H17N5O3/c29-22(26-24-15-16-11-13-18(14-12-16)23(30)31)20-25-21(17-7-3-1-4-8-17)28(27-20)19-9-5-2-6-10-19/h1-15H,(H,26,29)(H,30,31)/p-1
InChIK	BWEDFIQDCKKNNE-UHFFFAOYSA-M
TotalMolweight	410.412
Molweight	410.412
MonoisotopicMass	410.125315
CLogP	1.1883
CLogS	-5.275
H Acceptors	8
H Donors	1
TotalSurfaceArea	318.51
Relative PSA	0.28928
PolarSurfaceArea	112.3
Druglikeness	6.5552
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
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	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]benzoate

Request More Details | 4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments