(6Z)-3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Formula:C25H21N5O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
MolecularFormula	C25H21N5O2S2
Smiles	N=C(/C1=C/c2cccn2CCOc2ccccc2)N(C(SCc2ccccc2)=NS2)C2=NC1=O
InChI	InChI=1S/C25H21N5O2S2/c26-22-21(16-19-10-7-13-29(19)14-15-32-20-11-5-2-6-12-20)23(31)27-24-30(22)25(28-34-24)33-17-18-8-3-1-4-9-18/h1-13,16,26H,14-15,17H2
InChIK	PGYOPVDWQWWUDE-UHFFFAOYSA-N
TotalMolweight	487.607
Molweight	487.607
MonoisotopicMass	487.113665
CLogP	3.3334
CLogS	-5.259
H Acceptors	7
H Donors	1
TotalSurfaceArea	360.25
Relative PSA	0.29718
PolarSurfaceArea	133.64
Druglikeness	5.0185
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (6Z)-3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | 2 - (6Z)-3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

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