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

Formula:C19H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenoxy]acetamide is a drug-like molecule.

MolName	2-[4-[(Z)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenoxy]acetamide
MolecularFormula	C19H18N4O3S
Smiles	NC(COc1ccc(/C=N\N(C=Nc2c3c(CCCC4)c4s2)C3=O)cc1)=O
InChI	InChI=1S/C19H18N4O3S/c20-16(24)10-26-13-7-5-12(6-8-13)9-22-23-11-21-18-17(19(23)25)14-3-1-2-4-15(14)27-18/h5-9,11H,1-4,10H2,(H2,20,24)
InChIK	MLGOUCBSSZFIAE-UHFFFAOYSA-N
TotalMolweight	382.443
Molweight	382.443
MonoisotopicMass	382.109961
CLogP	2.3472
CLogS	-4.92
H Acceptors	7
H Donors	1
TotalSurfaceArea	284.6
Relative PSA	0.34533
PolarSurfaceArea	125.59
Druglikeness	1.5192
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

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

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