N-(2-fluorophenyl)-2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]acetamide

Formula:C21H18N3O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-fluorophenyl)-2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]acetamide is a drug-like molecule.

MolName	N-(2-fluorophenyl)-2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]acetamide
MolecularFormula	C21H18N3O3FS
Smiles	OC(N=C(N1)SCC(Nc(cccc2)c2F)=O)=C(C/C=C/c2ccccc2)C1=O
InChI	InChI=1S/C21H18FN3O3S/c22-16-11-4-5-12-17(16)23-18(26)13-29-21-24-19(27)15(20(28)25-21)10-6-9-14-7-2-1-3-8-14/h1-9,11-12H,10,13H2,(H,23,26)(H2,24,25,27,28)
InChIK	YKEMYCDKNFFTEO-UHFFFAOYSA-N
TotalMolweight	411.456
Molweight	411.456
MonoisotopicMass	411.10529
CLogP	3.3577
CLogS	-6.382
H Acceptors	6
H Donors	3
TotalSurfaceArea	308.04
Relative PSA	0.29574
PolarSurfaceArea	116.09
Druglikeness	1.2617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - N-(2-fluorophenyl)-2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]acetamide | 2 - N-(2-fluorophenyl)-2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]acetamide

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