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

Formula:C20H12N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C20H12N3O3BrS
Smiles	O=C(c1c(N=C2)scc1-c1ccccc1)N2/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C20H12BrN3O3S/c21-15-7-17-16(26-11-27-17)6-13(15)8-23-24-10-22-19-18(20(24)25)14(9-28-19)12-4-2-1-3-5-12/h1-10H,11H2
InChIK	HMPFPJPJTUNFDJ-UHFFFAOYSA-N
TotalMolweight	454.303
Molweight	454.303
MonoisotopicMass	452.978273
CLogP	4.9418
CLogS	-7.48
H Acceptors	6
TotalSurfaceArea	291.68
Relative PSA	0.27417
PolarSurfaceArea	91.73
Druglikeness	3.8049
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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