(5E)-5-[[5-(2-bromophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

Formula:C18H15N2O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(2-bromophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5E)-5-[[5-(2-bromophenyl)furan-2-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
MolecularFormula	C18H15N2O3BrS
Smiles	O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c(cccc2)c2Br)o1
InChI	InChI=1S/C18H15BrN2O3S/c19-14-4-2-1-3-13(14)15-6-5-12(24-15)11-16-17(22)20-18(25-16)21-7-9-23-10-8-21/h1-6,11H,7-10H2
InChIK	KEGCRBWGOSSVSW-UHFFFAOYSA-N
TotalMolweight	419.298
Molweight	419.298
MonoisotopicMass	417.998674
CLogP	3.2491
CLogS	-5.204
H Acceptors	5
TotalSurfaceArea	272.6
Relative PSA	0.25569
PolarSurfaceArea	80.34
Druglikeness	2.4803
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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