(2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C28H16N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.

MolName	(2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C28H16N4O3S
Smiles	O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2C2=Cc(cccc3)c3OC2=O)n2c1nc1c2cccc1
InChI	InChI=1S/C28H16N4O3S/c33-26-24(36-28-29-21-11-5-6-12-22(21)32(26)28)15-18-16-31(19-9-2-1-3-10-19)30-25(18)20-14-17-8-4-7-13-23(17)35-27(20)34/h1-16H
InChIK	ZDUKOTZPMABPRU-UHFFFAOYSA-N
TotalMolweight	488.526
Molweight	488.526
MonoisotopicMass	488.094311
CLogP	3.822
CLogS	-5.605
H Acceptors	7
TotalSurfaceArea	348.47
Relative PSA	0.25612
PolarSurfaceArea	104.31
Druglikeness	5.3516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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1 - (2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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