[3-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C30H24N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName[3-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormulaC30H24N3O4Br
SmilesO=C(CNC(C(c1ccccc1)c1ccccc1)=O)N/N=C\c1cccc(OC(c(cccc2)c2Br)=O)c1
InChIInChI=1S/C30H24BrN3O4/c31-26-17-8-7-16-25(26)30(37)38-24-15-9-10-21(18-24)19-33-34-27(35)20-32-29(36)28(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-19,28H,20H2,(H,32,36)(H,34,35)
InChIKRBOBJDVISUBORE-UHFFFAOYSA-N
TotalMolweight570.442
Molweight570.442
MonoisotopicMass569.095018
CLogP5.9667
CLogS-6.906
H Acceptors7
H Donors2
TotalSurfaceArea408.36
Relative PSA0.2046
PolarSurfaceArea96.86
Druglikeness4.2479
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55263
Fragments1
Non HAtoms38
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms8
Amides1
StereoCon

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