N-[5-[2-[(2Z)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C29H23N5O3S Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[5-[2-[(2Z)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[2-[(2Z)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C29H23N5O3S
Smiles	O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c1cc(OCc2cccc3ccccc23)ccc1
InChI	InChI=1S/C29H23N5O3S/c35-26(17-27-33-34-29(38-27)31-28(36)22-10-2-1-3-11-22)32-30-18-20-8-6-14-24(16-20)37-19-23-13-7-12-21-9-4-5-15-25(21)23/h1-16,18H,17,19H2,(H,32,35)(H,31,34,36)
InChIK	LVNSUMDDNWMMSI-UHFFFAOYSA-N
TotalMolweight	521.6
Molweight	521.6
MonoisotopicMass	521.15216
CLogP	5.7327
CLogS	-7.352
H Acceptors	8
H Donors	2
TotalSurfaceArea	401.3
Relative PSA	0.28111
PolarSurfaceArea	133.81
Druglikeness	6.2267
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63158
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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