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

Formula:C18H18N3OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-cyclohex-3-en-1-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-cyclohex-3-en-1-ylprop-2-enamide
MolecularFormula	C18H18N3OClS2
Smiles	O=C(/C=C/C1CC=CCC1)Nc1nnc(SCc(cccc2)c2Cl)s1
InChI	InChI=1S/C18H18ClN3OS2/c19-15-9-5-4-8-14(15)12-24-18-22-21-17(25-18)20-16(23)11-10-13-6-2-1-3-7-13/h1-2,4-5,8-11,13H,3,6-7,12H2,(H,20,21,23)/t13-/m1/s1
InChIK	NRWQTUSSALVSFI-CYBMUJFWSA-N
TotalMolweight	391.946
Molweight	391.946
MonoisotopicMass	391.057979
CLogP	4.9937
CLogS	-6.312
H Acceptors	4
H Donors	1
TotalSurfaceArea	295.64
Relative PSA	0.28511
PolarSurfaceArea	108.42
Druglikeness	-3.0628
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
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)-N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-cyclohex-3-en-1-ylprop-2-enamide | 2 - (E)-N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-cyclohex-3-en-1-ylprop-2-enamide

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