4-bromo-N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Formula:C21H13N2O2BrS2 Mutagenic:none Tumorigenic:high Reproductive Effective:high 4-bromo-N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
MolecularFormula	C21H13N2O2BrS2
Smiles	O=C(c(cc1)ccc1Br)NN(C(/C(/S1)=C/c2cccc3ccccc23)=O)C1=S
InChI	InChI=1S/C21H13BrN2O2S2/c22-16-10-8-14(9-11-16)19(25)23-24-20(26)18(28-21(24)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H,(H,23,25)
InChIK	YVMJFIHWSIAYIG-UHFFFAOYSA-N
TotalMolweight	469.382
Molweight	469.382
MonoisotopicMass	467.960179
CLogP	3.3908
CLogS	-7.124
H Acceptors	4
H Donors	1
TotalSurfaceArea	304.92
Relative PSA	0.28394
PolarSurfaceArea	106.8
Druglikeness	2.1658
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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