N-[5-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C18H14N5O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	N-[5-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C18H14N5O2BrS
Smiles	O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C/c(cc1)ccc1Br
InChI	InChI=1S/C18H14BrN5O2S/c19-14-8-6-12(7-9-14)11-20-22-15(25)10-16-23-24-18(27-16)21-17(26)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,22,25)(H,21,24,26)
InChIK	ATFGSQWVPKMLLX-UHFFFAOYSA-N
TotalMolweight	444.312
Molweight	444.312
MonoisotopicMass	443.005156
CLogP	3.9154
CLogS	-5.239
H Acceptors	7
H Donors	2
TotalSurfaceArea	301.81
Relative PSA	0.34064
PolarSurfaceArea	124.58
Druglikeness	4.6971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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