N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide

Formula:C19H15N7O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
MolecularFormula	C19H15N7O6S
Smiles	[O-][N+](c1c(/C=N\NC(Cc2nnc(NC(Nc3ccccc3)=O)s2)=O)cc2OCOc2c1)=O
InChI	InChI=1S/C19H15N7O6S/c27-16(23-20-9-11-6-14-15(32-10-31-14)7-13(11)26(29)30)8-17-24-25-19(33-17)22-18(28)21-12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,23,27)(H2,21,22,25,28)
InChIK	MYUPPARVIVGUFD-UHFFFAOYSA-N
TotalMolweight	469.437
Molweight	469.437
MonoisotopicMass	469.080453
CLogP	2.3739
CLogS	-6.092
H Acceptors	13
H Donors	3
TotalSurfaceArea	338.57
Relative PSA	0.48643
PolarSurfaceArea	200.89
Druglikeness	1.3421
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide | 2 - N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide

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