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2,4-dichloro-N-[2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]benzamide

Formula:C37H30N6OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dichloro-N-[2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]benzamide is not a drug-like molecule.
MolName2,4-dichloro-N-[2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]benzamide
MolecularFormulaC37H30N6OCl2S
SmilesO=C(c(ccc(Cl)c1)c1Cl)Nc(cccc1)c1SC(/C=C/NNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1
InChIInChI=1S/C37H30Cl2N6OS/c38-28-20-21-29(30(39)24-28)36(46)41-31-18-10-11-19-33(31)47-32(25-12-4-1-5-13-25)22-23-40-44-37-42-34(26-14-6-2-7-15-26)35(43-45-37)27-16-8-3-9-17-27/h1-24,32,34,40H,(H,41,46)(H2,42,44,45)
InChIKDMLOPYUIVRRXDB-UHFFFAOYSA-N
TotalMolweight677.658
Molweight677.658
MonoisotopicMass676.157883
CLogP7.9121
CLogS-10.939
H Acceptors7
H Donors4
TotalSurfaceArea508.16
Relative PSA0.19559
PolarSurfaceArea115.21
Druglikeness4.7856
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48936
Fragments1
Non HAtoms47
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms4
Symmetricatoms6
Amides1
BasicNitrogens1
StereoConunknown chirality

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