3-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-phenylthieno[2,3-d]pyrimidin-4-one

Formula:C21H14N3OBrS Mutagenic:high Tumorigenic:low Reproductive Effective:none 3-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C21H14N3OBrS
Smiles	O=C(c1c(N=C2)scc1-c1ccccc1)N2/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C21H14BrN3OS/c22-17(11-15-7-3-1-4-8-15)12-24-25-14-23-20-19(21(25)26)18(13-27-20)16-9-5-2-6-10-16/h1-14H
InChIK	IKSKHQSYTSVFNT-UHFFFAOYSA-N
TotalMolweight	436.332
Molweight	436.332
MonoisotopicMass	435.004093
CLogP	4.7161
CLogS	-7.06
H Acceptors	4
TotalSurfaceArea	296.13
Relative PSA	0.20251
PolarSurfaceArea	73.27
Druglikeness	0.49585
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
StereoCon

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