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

Formula:C25H22N4O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-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)-benzylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
MolecularFormula	C25H22N4O2S2
Smiles	O=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\c1ccccc1
InChI	InChI=1S/C25H22N4O2S2/c30-21(28-26-15-17-9-3-1-4-10-17)16-32-25-27-23-22(19-13-7-8-14-20(19)33-23)24(31)29(25)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2,(H,28,30)
InChIK	VPBNFMIIPNYMIK-UHFFFAOYSA-N
TotalMolweight	474.608
Molweight	474.608
MonoisotopicMass	474.118416
CLogP	5.4235
CLogS	-7.377
H Acceptors	6
H Donors	1
TotalSurfaceArea	353
Relative PSA	0.28884
PolarSurfaceArea	127.67
Druglikeness	2.463
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	4
Amides	1
StereoCon

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

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