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4-bromo-N-[(Z)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]benzamide

Formula:C32H21N3O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-bromo-N-[(Z)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]benzamide is not a drug-like molecule.
MolName4-bromo-N-[(Z)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]benzamide
MolecularFormulaC32H21N3O3BrCl
SmilesO=C(c(cc1)ccc1Br)N/N=C\C(C(C(C12)C(N3c(cccc4)c4Cl)=O)C3=O)(c3c2cccc3)c2c1cccc2
InChIInChI=1S/C32H21BrClN3O3/c33-19-15-13-18(14-16-19)29(38)36-35-17-32-22-9-3-1-7-20(22)26(21-8-2-4-10-23(21)32)27-28(32)31(40)37(30(27)39)25-12-6-5-11-24(25)34/h1-17,26-28H,(H,36,38)
InChIKZAKPOLKKBDKZJR-UHFFFAOYSA-N
TotalMolweight610.894
Molweight610.894
MonoisotopicMass609.04548
CLogP5.4636
CLogS-7.698
H Acceptors6
H Donors1
TotalSurfaceArea393.77
Relative PSA0.1667
PolarSurfaceArea78.84
Druglikeness4.4735
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.425
Fragments1
Non HAtoms40
NonCHAtoms8
Electronegative Atoms8
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings8
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms8
Amides1
StereoConunknown chirality

Request More Details | 4-bromo-N-[(Z)-[17-(2-chlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]benzamide


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