(2Z)-2-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C32H20N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.

MolName	(2Z)-2-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C32H20N4O3S
Smiles	[O-][N+](c(cc1)ccc1-n1c(-c2ccccc2)c(/C=C2\Sc3nc(cccc4)c4n3C2=O)cc1-c1ccccc1)=O
InChI	InChI=1S/C32H20N4O3S/c37-31-29(40-32-33-26-13-7-8-14-27(26)35(31)32)20-23-19-28(21-9-3-1-4-10-21)34(30(23)22-11-5-2-6-12-22)24-15-17-25(18-16-24)36(38)39/h1-20H
InChIK	WEZAWGOBRNTDEZ-UHFFFAOYSA-N
TotalMolweight	540.602
Molweight	540.602
MonoisotopicMass	540.125611
CLogP	6.2699
CLogS	-10.464
H Acceptors	7
TotalSurfaceArea	394.18
Relative PSA	0.21731
PolarSurfaceArea	110.94
Druglikeness	-1.3252
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.425
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	32
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - (2Z)-2-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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