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

Formula:C20H16N2OCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (8E)-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione is a drug-like molecule.

MolName	(8E)-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-1,3,4,5-tetrahydropyrano[4,3-d]pyrimidine-2-thione
MolecularFormula	C20H16N2OCl2S
Smiles	S=C1NC(/C(/COC2)=C\c(cccc3)c3Cl)=C2C(c(cccc2)c2Cl)N1
InChI	InChI=1S/C20H16Cl2N2OS/c21-16-7-3-1-5-12(16)9-13-10-25-11-15-18(13)23-20(26)24-19(15)14-6-2-4-8-17(14)22/h1-9,19H,10-11H2,(H2,23,24,26)/t19-/m0/s1
InChIK	UCAMLCAAUWNCMK-IBGZPJMESA-N
TotalMolweight	403.332
Molweight	403.332
MonoisotopicMass	402.036037
CLogP	4.697
CLogS	-5.431
H Acceptors	3
H Donors	2
TotalSurfaceArea	290.14
Relative PSA	0.20997
PolarSurfaceArea	65.38
Druglikeness	-0.92802
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
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
StereoCon	racemate

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