N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Formula:C25H21N5O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
MolecularFormula	C25H21N5O4S2
Smiles	[O-][N+](c1ccc(/C=N\NC(CSC(N2c3ccccc3)=Nc(sc3c4CCCC3)c4C2=O)=O)cc1)=O
InChI	InChI=1S/C25H21N5O4S2/c31-21(28-26-14-16-10-12-18(13-11-16)30(33)34)15-35-25-27-23-22(19-8-4-5-9-20(19)36-23)24(32)29(25)17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,28,31)
InChIK	OBGUOLZIGNOMQG-UHFFFAOYSA-N
TotalMolweight	519.605
Molweight	519.605
MonoisotopicMass	519.103495
CLogP	4.5019
CLogS	-7.837
H Acceptors	9
H Donors	1
TotalSurfaceArea	376.67
Relative PSA	0.35145
PolarSurfaceArea	173.49
Druglikeness	-2.5909
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

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