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2-[[5-[(4-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-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
MolName2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
MolecularFormulaC25H21N4O2ClS3
SmilesO=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c1cc(OCc2ccccc2)ccc1
InChIInChI=1S/C25H21ClN4O2S3/c26-21-11-9-19(10-12-21)16-33-24-29-30-25(35-24)34-17-23(31)28-27-14-20-7-4-8-22(13-20)32-15-18-5-2-1-3-6-18/h1-14H,15-17H2,(H,28,31)
InChIKOJKKYUHRBKDHLJ-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 Index0.71429
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms4
Aromatic Nitrogens2
StereoCon

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