[4-[(2E)-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-4-yl]phenyl] benzoate

Formula:C26H18N2O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(2E)-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-4-yl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-[(2E)-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-4-yl]phenyl] benzoate
MolecularFormula	C26H18N2O4S3
Smiles	O=C(c1ccccc1)Oc(cc1)ccc1C(N1c2ccccc2)=CS/C1=N/S(c1cccs1)(=O)=O
InChI	InChI=1S/C26H18N2O4S3/c29-25(20-8-3-1-4-9-20)32-22-15-13-19(14-16-22)23-18-34-26(28(23)21-10-5-2-6-11-21)27-35(30,31)24-12-7-17-33-24/h1-18H
InChIK	HNNAHZMIUUAFSJ-UHFFFAOYSA-N
TotalMolweight	518.637
Molweight	518.637
MonoisotopicMass	518.042868
CLogP	6.3829
CLogS	-6.783
H Acceptors	6
TotalSurfaceArea	366.78
Relative PSA	0.28499
PolarSurfaceArea	137.96
Druglikeness	4.1954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	7
BasicNitrogens	1
StereoCon

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