(2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-3a,4-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C20H12N2O2Br2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-3a,4-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.

MolName	(2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-3a,4-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C20H12N2O2Br2S
Smiles	O=C1N2c(cccc3)c3NC2S/C1=C\c1ccc(-c(cc(cc2)Br)c2Br)o1
InChI	InChI=1S/C20H12Br2N2O2S/c21-11-5-7-14(22)13(9-11)17-8-6-12(26-17)10-18-19(25)24-16-4-2-1-3-15(16)23-20(24)27-18/h1-10,20,23H/t20-/m1/s1
InChIK	DARKYJMQKUXDKU-HXUWFJFHSA-N
TotalMolweight	504.201
Molweight	504.201
MonoisotopicMass	501.89862
CLogP	5.7802
CLogS	-7.49
H Acceptors	4
H Donors	1
TotalSurfaceArea	286.94
Relative PSA	0.20788
PolarSurfaceArea	70.78
Druglikeness	2.5982
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
StereoCon	racemate

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1 - (2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-3a,4-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[5-(2,5-dibromophenyl)furan-2-yl]methylidene]-3a,4-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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