(E)-1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one

Formula:C22H21N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C22H21N4OClS
Smiles	O=C(/C=C/c1ccccc1)N(CC1)CCN1c1nc(Cc(cc2)ccc2Cl)ns1
InChI	InChI=1S/C22H21ClN4OS/c23-19-9-6-18(7-10-19)16-20-24-22(29-25-20)27-14-12-26(13-15-27)21(28)11-8-17-4-2-1-3-5-17/h1-11H,12-16H2
InChIK	LKZLVUNCGIWEOS-UHFFFAOYSA-N
TotalMolweight	424.955
Molweight	424.955
MonoisotopicMass	424.112458
CLogP	5.1343
CLogS	-3.433
H Acceptors	5
TotalSurfaceArea	321.81
Relative PSA	0.19403
PolarSurfaceArea	77.57
Druglikeness	5.799
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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