N-[5-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C26H19N5O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[5-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C26H19N5O2S
Smiles	O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C/c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C26H19N5O2S/c32-23(15-24-30-31-26(34-24)28-25(33)17-8-2-1-3-9-17)29-27-16-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-14,16H,15H2,(H,29,32)(H,28,31,33)
InChIK	VZYFVBRBUBQWTH-UHFFFAOYSA-N
TotalMolweight	465.536
Molweight	465.536
MonoisotopicMass	465.125945
CLogP	5.579
CLogS	-7.617
H Acceptors	7
H Donors	2
TotalSurfaceArea	352.38
Relative PSA	0.29176
PolarSurfaceArea	124.58
Druglikeness	6.4871
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[5-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Request More Details | N-[5-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments