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N-[5-[2-[(2Z)-2-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

Formula:C27H20N5O4ClS Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[5-[2-[(2Z)-2-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is not a drug-like molecule.
MolNameN-[5-[2-[(2Z)-2-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
MolecularFormulaC27H20N5O4ClS
SmilesO=C(Cc1nnc(NC(c2ccco2)=O)s1)N/N=C\c(cc(cc1)Cl)c1OCc1cccc2ccccc12
InChIInChI=1S/C27H20ClN5O4S/c28-20-10-11-22(37-16-18-7-3-6-17-5-1-2-8-21(17)18)19(13-20)15-29-31-24(34)14-25-32-33-27(38-25)30-26(35)23-9-4-12-36-23/h1-13,15H,14,16H2,(H,31,34)(H,30,33,35)
InChIKWBBKLNFWTXPLOU-UHFFFAOYSA-N
TotalMolweight546.006
Molweight546.006
MonoisotopicMass545.092452
CLogP5.5274
CLogS-7.77
H Acceptors9
H Donors2
TotalSurfaceArea406.41
Relative PSA0.3123
PolarSurfaceArea146.95
Druglikeness6.5644
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57895
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms26
Sp3Atoms3
Amides1
Aromatic Nitrogens2
StereoCon

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