[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C23H17N3O4BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is a drug-like molecule.

MolName[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormulaC23H17N3O4BrF
SmilesO=C(CNC(c(cc1)ccc1F)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O
InChIInChI=1S/C23H17BrFN3O4/c24-20-4-2-1-3-19(20)23(31)32-18-11-5-15(6-12-18)13-27-28-21(29)14-26-22(30)16-7-9-17(25)10-8-16/h1-13H,14H2,(H,26,30)(H,28,29)
InChIKAPMQRLNLIAUKCP-UHFFFAOYSA-N
TotalMolweight498.307
Molweight498.307
MonoisotopicMass497.038646
CLogP4.5418
CLogS-6.106
H Acceptors7
H Donors2
TotalSurfaceArea342.45
Relative PSA0.24398
PolarSurfaceArea96.86
Druglikeness1.9231
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.6875
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

Request More Details | [4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments