(6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C26H19N5OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H19N5OS2
Smiles	N=C(/C1=C/c2cn(Cc3ccccc3)c3c2cccc3)N2N=C(Cc3cccs3)SC2=NC1=O
InChI	InChI=1S/C26H19N5OS2/c27-24-21(25(32)28-26-31(24)29-23(34-26)14-19-9-6-12-33-19)13-18-16-30(15-17-7-2-1-3-8-17)22-11-5-4-10-20(18)22/h1-13,16,27H,14-15H2
InChIK	HEERCASTSCPOQM-UHFFFAOYSA-N
TotalMolweight	481.603
Molweight	481.603
MonoisotopicMass	481.1031
CLogP	3.3984
CLogS	-3.959
H Acceptors	6
H Donors	1
TotalSurfaceArea	349.54
Relative PSA	0.28589
PolarSurfaceArea	127.35
Druglikeness	6.7816
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[(1-benzylindol-3-yl)methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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