(E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula:C18H13N3OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C18H13N3OCl2S2
Smiles	O=C(/C=C/c1ccccc1)Nc1nnc(SCc(ccc(Cl)c2)c2Cl)s1
InChI	InChI=1S/C18H13Cl2N3OS2/c19-14-8-7-13(15(20)10-14)11-25-18-23-22-17(26-18)21-16(24)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,24)
InChIK	OXANDYJZPXEWRK-UHFFFAOYSA-N
TotalMolweight	422.359
Molweight	422.359
MonoisotopicMass	420.987706
CLogP	5.6474
CLogS	-7.178
H Acceptors	4
H Donors	1
TotalSurfaceArea	304.04
Relative PSA	0.27723
PolarSurfaceArea	108.42
Druglikeness	1.8725
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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