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

Formula:C18H17N3OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-cyclohex-3-en-1-yl-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-cyclohex-3-en-1-yl-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide
MolecularFormula	C18H17N3OCl2S2
Smiles	O=C(/C=C/C1CC=CCC1)Nc1nnc(SCc(ccc(Cl)c2)c2Cl)s1
InChI	InChI=1S/C18H17Cl2N3OS2/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/h1-2,6-10,12H,3-5,11H2,(H,21,22,24)/t12-/m1/s1
InChIK	LISJOWJDDGAVBH-GFCCVEGCSA-N
TotalMolweight	426.391
Molweight	426.391
MonoisotopicMass	425.019006
CLogP	5.5997
CLogS	-7.048
H Acceptors	4
H Donors	1
TotalSurfaceArea	311.06
Relative PSA	0.27098
PolarSurfaceArea	108.42
Druglikeness	-3.0628
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - (E)-3-cyclohex-3-en-1-yl-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide | 2 - (E)-3-cyclohex-3-en-1-yl-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]prop-2-enamide

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