N-[(Z)-benzylideneamino]-2-[5-[(4-nitrophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide

Formula:C18H15N7O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2-[5-[(4-nitrophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-2-[5-[(4-nitrophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
MolecularFormula	C18H15N7O4S
Smiles	[O-][N+](c(cc1)ccc1NC(Nc1nnc(CC(N/N=C\c2ccccc2)=O)s1)=O)=O
InChI	InChI=1S/C18H15N7O4S/c26-15(22-19-11-12-4-2-1-3-5-12)10-16-23-24-18(30-16)21-17(27)20-13-6-8-14(9-7-13)25(28)29/h1-9,11H,10H2,(H,22,26)(H2,20,21,24,27)
InChIK	MZDVFQFIXFKRRB-UHFFFAOYSA-N
TotalMolweight	425.428
Molweight	425.428
MonoisotopicMass	425.090623
CLogP	2.2625
CLogS	-5.381
H Acceptors	11
H Donors	3
TotalSurfaceArea	318.31
Relative PSA	0.45456
PolarSurfaceArea	182.43
Druglikeness	1.4
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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