3-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one

Formula:C22H13N4O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C22H13N4O2ClS2
Smiles	O=C(N1c2ccccc2)SC(/C=N\N(C=Nc2c3c(-c4ccccc4)cs2)C3=O)=C1Cl
InChI	InChI=1S/C22H13ClN4O2S2/c23-19-17(31-22(29)27(19)15-9-5-2-6-10-15)11-25-26-13-24-20-18(21(26)28)16(12-30-20)14-7-3-1-4-8-14/h1-13H
InChIK	HQKDKRSCKBQVCX-UHFFFAOYSA-N
TotalMolweight	464.956
Molweight	464.956
MonoisotopicMass	464.016843
CLogP	4.5526
CLogS	-8.064
H Acceptors	6
TotalSurfaceArea	323.17
Relative PSA	0.29102
PolarSurfaceArea	118.88
Druglikeness	6.8356
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	1
StereoCon

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1 - 3-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-(4-chloro-2-oxo-3-phenyl-1,3-thiazol-5-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one

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