Menu

[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C36H30N4O7Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC36H30N4O7Cl2
SmilesO=C(C(N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O
InChIInChI=1S/C36H30Cl2N4O7/c37-25-15-10-22(11-16-25)35(46)48-28-19-14-24(31(20-28)49-36(47)23-12-17-26(38)18-13-23)21-39-42-34(45)33(44)41-30-9-5-4-8-29(30)32(43)40-27-6-2-1-3-7-27/h4-5,8-21,27H,1-3,6-7H2,(H,40,43)(H,41,44)(H,42,45)
InChIKOUFNCGYLDCBWQQ-UHFFFAOYSA-N
TotalMolweight701.561
Molweight701.561
MonoisotopicMass700.149155
CLogP7.2114
CLogS-9.516
H Acceptors11
H Donors3
TotalSurfaceArea519.07
Relative PSA0.25255
PolarSurfaceArea152.26
Druglikeness-0.73762
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.5102
Fragments1
Non HAtoms49
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond12
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms6
Amides2
StereoCon

Request More Details | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate


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