N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C27H17N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C27H17N5OCl2S
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2
InChI	InChI=1S/C27H17Cl2N5OS/c28-21-11-10-18(23(29)13-21)15-34-16-20(22-8-4-5-9-24(22)34)12-19(14-30)26-32-33-27(36-26)31-25(35)17-6-2-1-3-7-17/h1-13,16H,15H2,(H,31,33,35)
InChIK	HDRUZLBAKMYWFV-UHFFFAOYSA-N
TotalMolweight	530.438
Molweight	530.438
MonoisotopicMass	529.053084
CLogP	6.0648
CLogS	-6.798
H Acceptors	6
H Donors	1
TotalSurfaceArea	390.03
Relative PSA	0.22365
PolarSurfaceArea	111.84
Druglikeness	1.3263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[(E)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

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