(2Z)-2-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C20H12N3OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.

MolName	(2Z)-2-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C20H12N3OBrS
Smiles	O=C(/C(/S1)=C/c2cccn2-c2cccc(Br)c2)n2c1nc1c2cccc1
InChI	InChI=1S/C20H12BrN3OS/c21-13-5-3-6-14(11-13)23-10-4-7-15(23)12-18-19(25)24-17-9-2-1-8-16(17)22-20(24)26-18/h1-12H
InChIK	BAPWKPMFBJVIKT-UHFFFAOYSA-N
TotalMolweight	422.305
Molweight	422.305
MonoisotopicMass	420.988443
CLogP	4.4703
CLogS	-7.306
H Acceptors	4
TotalSurfaceArea	269.62
Relative PSA	0.20488
PolarSurfaceArea	65.12
Druglikeness	1.8455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	3
StereoCon

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