[2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate

Formula:C33H22N2O6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.

MolName[2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
MolecularFormulaC33H22N2O6Br2
SmilesO=C(COc1cc2ccccc2cc1)N/N=C\c(cc1)cc(OC(c(cc2)ccc2Br)=O)c1OC(c(cc1)ccc1Br)=O
InChIInChI=1S/C33H22Br2N2O6/c34-26-11-6-23(7-12-26)32(39)42-29-16-5-21(17-30(29)43-33(40)24-8-13-27(35)14-9-24)19-36-37-31(38)20-41-28-15-10-22-3-1-2-4-25(22)18-28/h1-19H,20H2,(H,37,38)
InChIKSDEGTDUFHRMUJK-UHFFFAOYSA-N
TotalMolweight702.354
Molweight702.354
MonoisotopicMass699.98446
CLogP8.2823
CLogS-9.715
H Acceptors8
H Donors1
TotalSurfaceArea457.63
Relative PSA0.20123
PolarSurfaceArea103.29
Druglikeness2.1789
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.53488
Fragments1
Non HAtoms43
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond11
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms4
Symmetricatoms4
StereoCon

Request More Details | [2-(4-bromobenzoyl)oxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate


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