3-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one

Formula:C20H11N3O3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one is not a drug-like molecule.

MolName	3-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one
MolecularFormula	C20H11N3O3BrClS
Smiles	O=C(c1c(N=C2)scc1-c(cc1)ccc1Cl)N2/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C20H11BrClN3O3S/c21-15-6-17-16(27-10-28-17)5-12(15)7-24-25-9-23-19-18(20(25)26)14(8-29-19)11-1-3-13(22)4-2-11/h1-9H,10H2
InChIK	DLFMRQRHIGWHLA-UHFFFAOYSA-N
TotalMolweight	488.748
Molweight	488.748
MonoisotopicMass	486.9393
CLogP	5.5478
CLogS	-8.216
H Acceptors	6
TotalSurfaceArea	307.1
Relative PSA	0.2604
PolarSurfaceArea	91.73
Druglikeness	3.8372
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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