2-[2-[[2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione

Formula:C19H14N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[[2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione is a drug-like molecule.

MolName	2-[2-[[2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione
MolecularFormula	C19H14N4O3S2
Smiles	O=C(/C=C/c1cccs1)n1ncnc1SCCN(C(c1c2cccc1)=O)C2=O
InChI	InChI=1S/C19H14N4O3S2/c24-16(8-7-13-4-3-10-27-13)23-19(20-12-21-23)28-11-9-22-17(25)14-5-1-2-6-15(14)18(22)26/h1-8,10,12H,9,11H2
InChIK	OPKUGYRGTGQHQR-UHFFFAOYSA-N
TotalMolweight	410.477
Molweight	410.477
MonoisotopicMass	410.050731
CLogP	2.906
CLogS	-4.52
H Acceptors	7
TotalSurfaceArea	297
Relative PSA	0.36811
PolarSurfaceArea	138.7
Druglikeness	5.1837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[2-[[2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione | 2 - 2-[2-[[2-[(E)-3-thiophen-2-ylprop-2-enoyl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione

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