2-[[3-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzonitrile

Formula:C34H26N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[3-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzonitrile is not a drug-like molecule.

MolName	2-[[3-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzonitrile
MolecularFormula	C34H26N4OS
Smiles	N#Cc1c(Cn2c(cccc3)c3c(/C=C(\C(N3Cc4ccccc4)=O)/S/C3=N\Cc3ccccc3)c2)cccc1
InChI	InChI=1S/C34H26N4OS/c35-20-27-15-7-8-16-28(27)23-37-24-29(30-17-9-10-18-31(30)37)19-32-33(39)38(22-26-13-5-2-6-14-26)34(40-32)36-21-25-11-3-1-4-12-25/h1-19,24H,21-23H2
InChIK	FSPRPFKTBCXKQB-UHFFFAOYSA-N
TotalMolweight	538.673
Molweight	538.673
MonoisotopicMass	538.182731
CLogP	6.0702
CLogS	-7.24
H Acceptors	5
TotalSurfaceArea	419.05
Relative PSA	0.15755
PolarSurfaceArea	86.69
Druglikeness	0.67891
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45
Fragments	1
Non HAtoms	40
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[[3-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzonitrile | 2 - 2-[[3-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]methyl]benzonitrile

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