(8Z)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione

Formula:C20H16N2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (8Z)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione is not a drug-like molecule.

MolName	(8Z)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione
MolecularFormula	C20H16N2Cl2S2
Smiles	S=C1NC(/C(/CSC2)=C/c(cc3)ccc3Cl)=C2C(c(cc2)ccc2Cl)N1
InChI	InChI=1S/C20H16Cl2N2S2/c21-15-5-1-12(2-6-15)9-14-10-26-11-17-18(23-20(25)24-19(14)17)13-3-7-16(22)8-4-13/h1-9,18H,10-11H2,(H2,23,24,25)/t18-/m0/s1
InChIK	CQMQYXXDMVGBTN-SFHVURJKSA-N
TotalMolweight	419.399
Molweight	419.399
MonoisotopicMass	418.013192
CLogP	5.1039
CLogS	-6.117
H Acceptors	2
H Donors	2
TotalSurfaceArea	297.63
Relative PSA	0.22985
PolarSurfaceArea	81.45
Druglikeness	1.3183
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
StereoCon	racemate

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