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N-[5-[2-[(2Z)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide

Formula:C18H12N8O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[5-[2-[(2Z)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide is not a drug-like molecule.
MolNameN-[5-[2-[(2Z)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
MolecularFormulaC18H12N8O3Cl2S
SmilesO=C(Cc1nnc(NC(c2ncn[nH]2)=O)s1)N/N=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C18H12Cl2N8O3S/c19-10-3-9(4-11(20)5-10)13-2-1-12(31-13)7-22-25-14(29)6-15-26-28-18(32-15)24-17(30)16-21-8-23-27-16/h1-5,7-8H,6H2,(H,25,29)(H,21,23,27)(H,24,28,30)
InChIKZHBZWUNSZZPMMR-UHFFFAOYSA-N
TotalMolweight491.318
Molweight491.318
MonoisotopicMass490.013011
CLogP3.0005
CLogS-5.571
H Acceptors11
H Donors3
TotalSurfaceArea350.56
Relative PSA0.43602
PolarSurfaceArea179.29
Druglikeness9.5824
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms1
Symmetricatoms3
Amides1
Aromatic Nitrogens5
StereoCon

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