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

Formula:C18H15N4O2ClS3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
MolName2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormulaC18H15N4O2ClS3
SmilesO=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\C=C\c1ccco1
InChIInChI=1S/C18H15ClN4O2S3/c19-15-8-2-1-5-13(15)11-26-17-22-23-18(28-17)27-12-16(24)21-20-9-3-6-14-7-4-10-25-14/h1-10H,11-12H2,(H,21,24)
InChIKUUBDLHOAEGVJJB-UHFFFAOYSA-N
TotalMolweight450.994
Molweight450.994
MonoisotopicMass450.004563
CLogP4.226
CLogS-7.05
H Acceptors6
H Donors1
TotalSurfaceArea334.32
Relative PSA0.38107
PolarSurfaceArea159.22
Druglikeness5.0288
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.71429
Fragments1
Non HAtoms28
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms4
Aromatic Nitrogens2
StereoCon

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