[4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

Formula:C23H17N3O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormulaC23H17N3O4BrCl
SmilesO=C(CNC(c(cccc1)c1Br)=O)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O
InChIInChI=1S/C23H17BrClN3O4/c24-19-7-3-1-5-17(19)22(30)26-14-21(29)28-27-13-15-9-11-16(12-10-15)32-23(31)18-6-2-4-8-20(18)25/h1-13H,14H2,(H,26,30)(H,28,29)
InChIKYVMYRWREIIYRBM-UHFFFAOYSA-N
TotalMolweight514.762
Molweight514.762
MonoisotopicMass513.009095
CLogP5.047
CLogS-6.528
H Acceptors7
H Donors2
TotalSurfaceArea351.52
Relative PSA0.23768
PolarSurfaceArea96.86
Druglikeness3.3116
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65625
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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


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