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

Formula:C23H22N5O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C23H22N5O2ClS2
Smiles	O=C(CSc1nnc(NC(/C=C/c2ccccc2)=O)s1)N(CC1)CCN1c(cc1)ccc1Cl
InChI	InChI=1S/C23H22ClN5O2S2/c24-18-7-9-19(10-8-18)28-12-14-29(15-13-28)21(31)16-32-23-27-26-22(33-23)25-20(30)11-6-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,25,26,30)
InChIK	YLXLLVGYYVNYPE-UHFFFAOYSA-N
TotalMolweight	500.046
Molweight	500.046
MonoisotopicMass	499.090342
CLogP	4.5717
CLogS	-5.612
H Acceptors	7
H Donors	1
TotalSurfaceArea	368.51
Relative PSA	0.28338
PolarSurfaceArea	131.97
Druglikeness	7.2144
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	6
Amides	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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

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