1-benzyl-5-[(Z)-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]iminomethyl]-4H-pyridine-3-carbonitrile

Formula:C26H18N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-benzyl-5-[(Z)-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]iminomethyl]-4H-pyridine-3-carbonitrile is a drug-like molecule.

MolName	1-benzyl-5-[(Z)-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]iminomethyl]-4H-pyridine-3-carbonitrile
MolecularFormula	C26H18N5OClS
Smiles	N#CC(C1)=CN(Cc2ccccc2)C=C1/C=N\N(C=Nc1c2c(-c(cc3)ccc3Cl)cs1)C2=O
InChI	InChI=1S/C26H18ClN5OS/c27-22-8-6-21(7-9-22)23-16-34-25-24(23)26(33)32(17-29-25)30-12-20-10-19(11-28)14-31(15-20)13-18-4-2-1-3-5-18/h1-9,12,14-17H,10,13H2
InChIK	MAVWYNBFHHVGDX-UHFFFAOYSA-N
TotalMolweight	483.982
Molweight	483.982
MonoisotopicMass	483.092057
CLogP	3.9858
CLogS	-7.369
H Acceptors	6
TotalSurfaceArea	363.66
Relative PSA	0.21196
PolarSurfaceArea	100.3
Druglikeness	2.5714
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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