3-[(Z)-(6-chloro-4H-1,3-benzodioxin-8-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one

Formula:C21H14N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(6-chloro-4H-1,3-benzodioxin-8-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(6-chloro-4H-1,3-benzodioxin-8-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C21H14N3O3ClS
Smiles	O=C(c1c(N=C2)scc1-c1ccccc1)N2/N=C\c1c2OCOCc2cc(Cl)c1
InChI	InChI=1S/C21H14ClN3O3S/c22-16-6-14(19-15(7-16)9-27-12-28-19)8-24-25-11-23-20-18(21(25)26)17(10-29-20)13-4-2-1-3-5-13/h1-8,10-11H,9,12H2
InChIK	MTVXLCZICBABLE-UHFFFAOYSA-N
TotalMolweight	423.879
Molweight	423.879
MonoisotopicMass	423.044439
CLogP	4.2061
CLogS	-7.376
H Acceptors	6
TotalSurfaceArea	302.23
Relative PSA	0.2646
PolarSurfaceArea	91.73
Druglikeness	5.4218
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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