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(14Z)-14-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-11-(3-nitrophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Formula:C34H23N3O4Br2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (14Z)-14-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-11-(3-nitrophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
MolName(14Z)-14-[(3,5-dibromo-2-phenylmethoxyphenyl)methylidene]-11-(3-nitrophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
MolecularFormulaC34H23N3O4Br2S
Smiles[O-][N+](c1cccc(C2N(C(/C(/S3)=C/c4cc(Br)cc(Br)c4OCc4ccccc4)=O)C3=NC3=C2CCc2c3cccc2)c1)=O
InChIInChI=1S/C34H23Br2N3O4S/c35-24-15-23(32(28(36)18-24)43-19-20-7-2-1-3-8-20)17-29-33(40)38-31(22-10-6-11-25(16-22)39(41)42)27-14-13-21-9-4-5-12-26(21)30(27)37-34(38)44-29/h1-12,15-18,31H,13-14,19H2/t31-/m1/s1
InChIKAILRECDKCNUVNK-WJOKGBTCSA-N
TotalMolweight729.448
Molweight729.448
MonoisotopicMass726.977599
CLogP7.6843
CLogS-9.575
H Acceptors7
TotalSurfaceArea452.89
Relative PSA0.18991
PolarSurfaceArea113.02
Druglikeness-3.9468
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.40909
Fragments1
Non HAtoms44
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond6
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms7
Symmetricatoms2
Amides1
AcidicOxygens1
StereoConracemate

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