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N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Formula:C22H18N4O2S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is a drug-like molecule.
MolNameN-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
MolecularFormulaC22H18N4O2S3
SmilesO=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C\C=C\c1ccco1
InChIInChI=1S/C22H18N4O2S3/c27-20(24-23-12-4-9-18-10-5-13-28-18)15-30-22-26-25-21(31-22)29-14-17-8-3-7-16-6-1-2-11-19(16)17/h1-13H,14-15H2,(H,24,27)
InChIKOXDZZYGZTKSWKG-UHFFFAOYSA-N
TotalMolweight466.609
Molweight466.609
MonoisotopicMass466.059186
CLogP4.8144
CLogS-7.92
H Acceptors6
H Donors1
TotalSurfaceArea353.5
Relative PSA0.3604
PolarSurfaceArea159.22
Druglikeness4.9742
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.67742
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms4
Aromatic Nitrogens2
StereoCon

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