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5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-11-(4-chlorophenyl)-13-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Formula:C29H17N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-11-(4-chlorophenyl)-13-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one is not a drug-like molecule.
MolName5-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-11-(4-chlorophenyl)-13-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
MolecularFormulaC29H17N4O4Cl
SmilesO=C(c(oc1c2c(-c3ccccc3)cc(-c(cc3)ccc3Cl)n1)c2N=C1)N1/N=C\c(cc1)cc2c1OCO2
InChIInChI=1S/C29H17ClN4O4/c30-20-9-7-19(8-10-20)22-13-21(18-4-2-1-3-5-18)25-26-27(38-28(25)33-22)29(35)34(15-31-26)32-14-17-6-11-23-24(12-17)37-16-36-23/h1-15H,16H2
InChIKFPUPIPDRWNZMRQ-UHFFFAOYSA-N
TotalMolweight520.931
Molweight520.931
MonoisotopicMass520.093833
CLogP6.3864
CLogS-10.343
H Acceptors8
TotalSurfaceArea375.34
Relative PSA0.22564
PolarSurfaceArea89.52
Druglikeness4.4957
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms27
Sp3Atoms3
Symmetricatoms4
Aromatic Nitrogens1
StereoCon

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