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1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea

Formula:C20H22N8F2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea is a drug-like molecule.
MolName1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[4-[[(Z)-(4-fluorophenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
MolecularFormulaC20H22N8F2S2
SmilesFc1ccc(/C=N\NC(NN(CC2)CCN2NC(N/N=C\c(cc2)ccc2F)=S)=S)cc1
InChIInChI=1S/C20H22F2N8S2/c21-17-5-1-15(2-6-17)13-23-25-19(31)27-29-9-11-30(12-10-29)28-20(32)26-24-14-16-3-7-18(22)8-4-16/h1-8,13-14H,9-12H2,(H2,25,27,31)(H2,26,28,32)
InChIKDZWJBBDABRAEDR-UHFFFAOYSA-N
TotalMolweight476.579
Molweight476.579
MonoisotopicMass476.137688
CLogP1.8628
CLogS-5.482
H Acceptors8
H Donors4
TotalSurfaceArea368.64
Relative PSA0.35796
PolarSurfaceArea143.5
Druglikeness3.6453
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; thio-amide/urea
Shape Index0.75
Fragments1
Non HAtoms32
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms19
StereoCon

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