(6Z)-6-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C20H13N3O2BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H13N3O2BrClS
Smiles	N=C(/C1=C/c(cc2)cc(Br)c2OCc(cccc2)c2Cl)N(C=CS2)C2=NC1=O
InChI	InChI=1S/C20H13BrClN3O2S/c21-15-10-12(5-6-17(15)27-11-13-3-1-2-4-16(13)22)9-14-18(23)25-7-8-28-20(25)24-19(14)26/h1-10,23H,11H2
InChIK	TVWYVTGMDLJQKT-UHFFFAOYSA-N
TotalMolweight	474.765
Molweight	474.765
MonoisotopicMass	472.960035
CLogP	3.5196
CLogS	-5.294
H Acceptors	5
H Donors	1
TotalSurfaceArea	303.86
Relative PSA	0.23429
PolarSurfaceArea	91.05
Druglikeness	1.265
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
BasicNitrogens	1
StereoCon

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