[4-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate

Formula:C25H16N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate is a drug-like molecule.

MolName	[4-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-3-carboxylate
MolecularFormula	C25H16N4O3S
Smiles	O=C(c1cnccc1)Oc1ccc(/C=N\N(C=Nc2c3c(-c4ccccc4)cs2)C3=O)cc1
InChI	InChI=1S/C25H16N4O3S/c30-24-22-21(18-5-2-1-3-6-18)15-33-23(22)27-16-29(24)28-13-17-8-10-20(11-9-17)32-25(31)19-7-4-12-26-14-19/h1-16H
InChIK	CYZXPADJVDHAPE-UHFFFAOYSA-N
TotalMolweight	452.493
Molweight	452.493
MonoisotopicMass	452.094311
CLogP	4.5348
CLogS	-6.61
H Acceptors	7
TotalSurfaceArea	339.06
Relative PSA	0.27718
PolarSurfaceArea	112.46
Druglikeness	5.4427
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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