(6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C35H35N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName	(6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C35H35N3O4S
Smiles	CCOc(cc(/C=C(/C(N(C(c1ccccc1)=CS1)C1=N1)=N)\C1=O)cc1)c1OCCOc1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C35H35N3O4S/c1-2-40-32-22-24(21-29-33(36)38-30(27-11-7-4-8-12-27)23-43-35(38)37-34(29)39)13-18-31(32)42-20-19-41-28-16-14-26(15-17-28)25-9-5-3-6-10-25/h4,7-8,11-18,21-23,25,36H,2-3,5-6,9-10,19-20H2,1H3
InChIK	HUILZNCLDSVKJS-UHFFFAOYSA-N
TotalMolweight	593.746
Molweight	593.746
MonoisotopicMass	593.234827
CLogP	6.6321
CLogS	-6.822
H Acceptors	7
H Donors	1
TotalSurfaceArea	455.36
Relative PSA	0.20026
PolarSurfaceArea	109.51
Druglikeness	-9.9353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5814
Fragments	1
Non HAtoms	43
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	14
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - (6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[4-[2-(4-cyclohexylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

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