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

Formula:C19H15N6O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide is not a drug-like molecule.

MolName	N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
MolecularFormula	C19H15N6O4BrS
Smiles	O=C(Cc1nnc(NC(Nc2ccccc2)=O)s1)N/N=C/c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C19H15BrN6O4S/c20-13-7-15-14(29-10-30-15)6-11(13)9-21-24-16(27)8-17-25-26-19(31-17)23-18(28)22-12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,24,27)(H2,22,23,26,28)
InChIK	XNIHXSDNPKGMHT-UHFFFAOYSA-N
TotalMolweight	503.336
Molweight	503.336
MonoisotopicMass	502.005885
CLogP	4.0207
CLogS	-6.466
H Acceptors	10
H Donors	3
TotalSurfaceArea	333.53
Relative PSA	0.40257
PolarSurfaceArea	155.07
Druglikeness	4.5828
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
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-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide | 2 - N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide

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