N-[(5Z)-5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

Formula:C28H26N3O5BrS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high N-[(5Z)-5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide is not a drug-like molecule.

MolName	N-[(5Z)-5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide
MolecularFormula	C28H26N3O5BrS2
Smiles	[O-][N+](c1ccc(COc(cc2)c(/C=C(/C(N3NC(C4(CC(C5)C6)CC6CC5C4)=O)=O)\SC3=S)cc2Br)cc1)=O
InChI	InChI=1S/C28H26BrN3O5S2/c29-21-3-6-23(37-15-16-1-4-22(5-2-16)32(35)36)20(10-21)11-24-25(33)31(27(38)39-24)30-26(34)28-12-17-7-18(13-28)9-19(8-17)14-28/h1-6,10-11,17-19H,7-9,12-15H2,(H,30,34)
InChIK	JQICRDMZQYSAOB-UHFFFAOYSA-N
TotalMolweight	628.566
Molweight	628.566
MonoisotopicMass	627.049723
CLogP	3.0762
CLogS	-8.304
H Acceptors	8
H Donors	1
TotalSurfaceArea	407.72
Relative PSA	0.31149
PolarSurfaceArea	161.85
Druglikeness	-2.0839
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	15
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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1 - N-[(5Z)-5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide | 2 - N-[(5Z)-5-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

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