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

Formula:C19H16N6O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide is a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
MolecularFormula	C19H16N6O4S
Smiles	O=C(Cc1nnc(NC(Nc2ccccc2)=O)s1)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H16N6O4S/c26-16(23-20-10-12-6-7-14-15(8-12)29-11-28-14)9-17-24-25-19(30-17)22-18(27)21-13-4-2-1-3-5-13/h1-8,10H,9,11H2,(H,23,26)(H2,21,22,25,27)
InChIK	KYNDGUGULSBJMA-UHFFFAOYSA-N
TotalMolweight	424.44
Molweight	424.44
MonoisotopicMass	424.095374
CLogP	3.2955
CLogS	-5.632
H Acceptors	10
H Donors	3
TotalSurfaceArea	314.9
Relative PSA	0.42639
PolarSurfaceArea	155.07
Druglikeness	6.3728
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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

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