(E)-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula:C19H15N5O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C19H15N5O4S2
Smiles	[O-][N+](c(cc1)ccc1NC(CSc1nnc(NC(/C=C/c2ccccc2)=O)s1)=O)=O
InChI	InChI=1S/C19H15N5O4S2/c25-16(11-6-13-4-2-1-3-5-13)21-18-22-23-19(30-18)29-12-17(26)20-14-7-9-15(10-8-14)24(27)28/h1-11H,12H2,(H,20,26)(H,21,22,25)
InChIK	ZGQZYOGSCYVOGE-UHFFFAOYSA-N
TotalMolweight	441.491
Molweight	441.491
MonoisotopicMass	441.056545
CLogP	2.9127
CLogS	-5.791
H Acceptors	9
H Donors	2
TotalSurfaceArea	326.08
Relative PSA	0.42692
PolarSurfaceArea	183.34
Druglikeness	-3.1265
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - (E)-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide | 2 - (E)-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

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