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

Formula:C19H14N4O2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C19H14N4O2Cl2S2
Smiles	O=C(CSc1nnc(NC(/C=C/c2ccccc2)=O)s1)Nc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C19H14Cl2N4O2S2/c20-14-8-7-13(10-15(14)21)22-17(27)11-28-19-25-24-18(29-19)23-16(26)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,27)(H,23,24,26)
InChIK	KAJCSGSZPKYBCB-UHFFFAOYSA-N
TotalMolweight	465.384
Molweight	465.384
MonoisotopicMass	463.99352
CLogP	5.0463
CLogS	-6.803
H Acceptors	6
H Donors	2
TotalSurfaceArea	333.25
Relative PSA	0.32645
PolarSurfaceArea	137.52
Druglikeness	1.9866
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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

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