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5-(phenylcarbamoylamino)-N-[(E)-[4-[(Z)-[[5-(phenylcarbamoylamino)thiadiazole-4-carbonyl]hydrazinylidene]methyl]phenyl]methylideneamino]thiadiazole-4-carboxamide

Formula:C28H22N12O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-(phenylcarbamoylamino)-N-[(E)-[4-[(Z)-[[5-(phenylcarbamoylamino)thiadiazole-4-carbonyl]hydrazinylidene]methyl]phenyl]methylideneamino]thiadiazole-4-carboxamide is not a drug-like molecule.
MolName5-(phenylcarbamoylamino)-N-[(E)-[4-[(Z)-[[5-(phenylcarbamoylamino)thiadiazole-4-carbonyl]hydrazinylidene]methyl]phenyl]methylideneamino]thiadiazole-4-carboxamide
MolecularFormulaC28H22N12O4S2
SmilesO=C(c1c(NC(Nc2ccccc2)=O)snn1)N/N=C/c1ccc(/C=N\NC(c2c(NC(Nc3ccccc3)=O)snn2)=O)cc1
InChIInChI=1S/C28H22N12O4S2/c41-23(21-25(45-39-35-21)33-27(43)31-19-7-3-1-4-8-19)37-29-15-17-11-13-18(14-12-17)16-30-38-24(42)22-26(46-40-36-22)34-28(44)32-20-9-5-2-6-10-20/h1-16H,(H,37,41)(H,38,42)(H2,31,33,43)(H2,32,34,44)
InChIKLCPPQVCGUKPMBS-UHFFFAOYSA-N
TotalMolweight654.695
Molweight654.695
MonoisotopicMass654.132838
CLogP5.3752
CLogS-9.504
H Acceptors16
H Donors6
TotalSurfaceArea488.5
Relative PSA0.46784
PolarSurfaceArea273.22
Druglikeness1.3633
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65217
Fragments1
Non HAtoms46
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms28
Symmetricatoms6
Amides4
Aromatic Nitrogens4
StereoCon

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