N-[(E)-2-[4-[(E)-2-benzamido-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide

Formula:C38H26N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-2-[4-[(E)-2-benzamido-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide is not a drug-like molecule.

MolName	N-[(E)-2-[4-[(E)-2-benzamido-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide
MolecularFormula	C38H26N4O2S2
Smiles	O=C(c1ccccc1)N/C(/c1nc(cccc2)c2s1)=C/c1ccc(/C=C(\c2nc(cccc3)c3s2)/NC(c2ccccc2)=O)cc1
InChI	InChI=1S/C38H26N4O2S2/c43-35(27-11-3-1-4-12-27)39-31(37-41-29-15-7-9-17-33(29)45-37)23-25-19-21-26(22-20-25)24-32(40-36(44)28-13-5-2-6-14-28)38-42-30-16-8-10-18-34(30)46-38/h1-24H,(H,39,43)(H,40,44)
InChIK	OZMRFBNVVNGYGK-UHFFFAOYSA-N
TotalMolweight	634.782
Molweight	634.782
MonoisotopicMass	634.149716
CLogP	7.5862
CLogS	-8.37
H Acceptors	6
H Donors	2
TotalSurfaceArea	478.74
Relative PSA	0.23324
PolarSurfaceArea	140.46
Druglikeness	3.2328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.43478
Fragments	1
Non HAtoms	46
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	7
Small Rings	7
Aromatic Rings	7
Aromatic Atoms	36
Symmetricatoms	26
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - N-[(E)-2-[4-[(E)-2-benzamido-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide | 2 - N-[(E)-2-[4-[(E)-2-benzamido-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide

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