4-N,5-N,3-triphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazolidine-2,4,5-triimine

Formula:C30H23N5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-N,5-N,3-triphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazolidine-2,4,5-triimine is not a drug-like molecule.

MolName4-N,5-N,3-triphenyl-2-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazolidine-2,4,5-triimine
MolecularFormulaC30H23N5S
SmilesC(/C=N\N=C(/N(/C1=N/c2ccccc2)c2ccccc2)\S/C1=N\c1ccccc1)=C/c1ccccc1
InChIInChI=1S/C30H23N5S/c1-5-14-24(15-6-1)16-13-23-31-34-30-35(27-21-11-4-12-22-27)28(32-25-17-7-2-8-18-25)29(36-30)33-26-19-9-3-10-20-26/h1-23H
InChIKOPKGOUHTZCFBTC-UHFFFAOYSA-N
TotalMolweight485.614
Molweight485.614
MonoisotopicMass485.167415
CLogP6.5572
CLogS-6.872
H Acceptors5
TotalSurfaceArea387
Relative PSA0.17333
PolarSurfaceArea77.98
Druglikeness3.962
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsdimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.47222
Fragments1
Non HAtoms36
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms1
Symmetricatoms8
StereoCon

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