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

Formula:C19H18N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide is a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
MolecularFormula	C19H18N4O2S
Smiles	O=C(CN(C=Nc1c2c(CCCC3)c3s1)C2=O)N/N=C\c1ccccc1
InChI	InChI=1S/C19H18N4O2S/c24-16(22-21-10-13-6-2-1-3-7-13)11-23-12-20-18-17(19(23)25)14-8-4-5-9-15(14)26-18/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,22,24)
InChIK	PSUBEUPOMONYKU-UHFFFAOYSA-N
TotalMolweight	366.444
Molweight	366.444
MonoisotopicMass	366.115046
CLogP	3.2138
CLogS	-4.961
H Acceptors	6
H Donors	1
TotalSurfaceArea	277.54
Relative PSA	0.30435
PolarSurfaceArea	102.37
Druglikeness	3.5928
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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