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2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

Formula:C25H21N4O2ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
MolName2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormulaC25H21N4O2ClS3
SmilesO=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\c1cc(OCc2ccccc2)ccc1
InChIInChI=1S/C25H21ClN4O2S3/c26-22-12-5-4-10-20(22)16-33-24-29-30-25(35-24)34-17-23(31)28-27-14-19-9-6-11-21(13-19)32-15-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,28,31)
InChIKPEAJTJYRFAEVSW-UHFFFAOYSA-N
TotalMolweight541.119
Molweight541.119
MonoisotopicMass540.051513
CLogP6.3671
CLogS-8.417
H Acceptors6
H Donors1
TotalSurfaceArea401.65
Relative PSA0.30696
PolarSurfaceArea155.31
Druglikeness4.8192
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.68571
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms2
Aromatic Nitrogens2
StereoCon

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