2-anilino-9-bromo-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
Formula:C32H18N3O4Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-anilino-9-bromo-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is not a drug-like molecule.
| MolName | 2-anilino-9-bromo-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone |
| MolecularFormula | C32H18N3O4Br |
| Smiles | O=C(c(cc(c(C(N(c1ccccc1)C1=O)=O)c2c1c1)Nc3ccccc3)c2c2c1Br)N(c1ccccc1)C2=O |
| InChI | InChI=1S/C32H18BrN3O4/c33-23-16-21-26-25-22(30(38)35(31(39)27(23)25)19-12-6-2-7-13-19)17-24(34-18-10-4-1-5-11-18)28(26)32(40)36(29(21)37)20-14-8-3-9-15-20/h1-17,34H |
| InChIK | KNMBFZJDQBPKQV-UHFFFAOYSA-N |
| TotalMolweight | 588.416 |
| Molweight | 588.416 |
| MonoisotopicMass | 587.048068 |
| CLogP | 6.768 |
| CLogS | -9.342 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 381.83 |
| Relative PSA | 0.18521 |
| PolarSurfaceArea | 86.79 |
| Druglikeness | -0.14825 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-anilino-9-bromo-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone | 2 - 2-anilino-9-bromo-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
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