2-(4-bromophenoxy)-N-[(E)-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide

Formula:C17H13N3O3BrFS Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-(4-bromophenoxy)-N-[(E)-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide is a drug-like molecule.

MolName2-(4-bromophenoxy)-N-[(E)-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
MolecularFormulaC17H13N3O3BrFS
SmilesO=C(COc(cc1)ccc1Br)N/N=C(\N1c(cc2)ccc2F)/SCC1=O
InChIInChI=1S/C17H13BrFN3O3S/c18-11-1-7-14(8-2-11)25-9-15(23)20-21-17-22(16(24)10-26-17)13-5-3-12(19)4-6-13/h1-8H,9-10H2,(H,20,23)
InChIKYLSIPNSICZKTMT-UHFFFAOYSA-N
TotalMolweight438.276
Molweight438.276
MonoisotopicMass436.984501
CLogP3.1337
CLogS-5.511
H Acceptors6
H Donors1
TotalSurfaceArea279.74
Relative PSA0.2863
PolarSurfaceArea96.3
Druglikeness1.3485
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.65385
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms4
Amides1
StereoCon

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