(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C21H15NO4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C21H15NO4S2
Smiles	O=C(/C(/S1)=C/C2=Cc(cccc3)c3OC2)N(Cc(cc2)cc3c2OCO3)C1=S
InChI	InChI=1S/C21H15NO4S2/c23-20-19(9-14-7-15-3-1-2-4-16(15)24-11-14)28-21(27)22(20)10-13-5-6-17-18(8-13)26-12-25-17/h1-9H,10-12H2
InChIK	KRRVYBDVRADJSK-UHFFFAOYSA-N
TotalMolweight	409.485
Molweight	409.485
MonoisotopicMass	409.044249
CLogP	3.3368
CLogS	-5.472
H Acceptors	5
TotalSurfaceArea	291.47
Relative PSA	0.31592
PolarSurfaceArea	105.39
Druglikeness	3.9119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Amides	1
StereoCon

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