(6E)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C28H20N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C28H20N4OS
Smiles	N=C(/C1=C\c2cn(Cc3ccccc3)c3c2cccc3)N(C(c2ccccc2)=CS2)C2=NC1=O
InChI	InChI=1S/C28H20N4OS/c29-26-23(27(33)30-28-32(26)25(18-34-28)20-11-5-2-6-12-20)15-21-17-31(16-19-9-3-1-4-10-19)24-14-8-7-13-22(21)24/h1-15,17-18,29H,16H2
InChIK	NNAXRRRDTHYLCE-UHFFFAOYSA-N
TotalMolweight	460.56
Molweight	460.56
MonoisotopicMass	460.135781
CLogP	4.3337
CLogS	-4.447
H Acceptors	5
H Donors	1
TotalSurfaceArea	341.58
Relative PSA	0.19925
PolarSurfaceArea	86.75
Druglikeness	4.3677
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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