5-[(1E,3E)-4-(3,4-dihydro-2H-quinolin-1-yl)buta-1,3-dienyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H20N2OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(1E,3E)-4-(3,4-dihydro-2H-quinolin-1-yl)buta-1,3-dienyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	5-[(1E,3E)-4-(3,4-dihydro-2H-quinolin-1-yl)buta-1,3-dienyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H20N2OS2
Smiles	O=C(C(/C=C/C=C/N(CCC1)c2c1cccc2)SC1=S)N1c1ccccc1
InChI	InChI=1S/C22H20N2OS2/c25-21-20(27-22(26)24(21)18-11-2-1-3-12-18)14-6-7-15-23-16-8-10-17-9-4-5-13-19(17)23/h1-7,9,11-15,20H,8,10,16H2/b14-6+,15-7?/t20-/m1/s1
InChIK	KEZFNZVVFZVCHB-GXFCWKMSSA-N
TotalMolweight	392.546
Molweight	392.546
MonoisotopicMass	392.101703
CLogP	3.7801
CLogS	-5.742
H Acceptors	3
TotalSurfaceArea	301.35
Relative PSA	0.21779
PolarSurfaceArea	80.94
Druglikeness	3.8506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - 5-[(1E,3E)-4-(3,4-dihydro-2H-quinolin-1-yl)buta-1,3-dienyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 5-[(1E,3E)-4-(3,4-dihydro-2H-quinolin-1-yl)buta-1,3-dienyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Request More Details | 5-[(1E,3E)-4-(3,4-dihydro-2H-quinolin-1-yl)buta-1,3-dienyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments