(8S)-6-[(Z)-benzylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Formula:C21H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8S)-6-[(Z)-benzylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
| MolName | (8S)-6-[(Z)-benzylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| MolecularFormula | C21H18N4O2 |
| Smiles | O=C(CN1/N=C\c2ccccc2)N(Cc2c(C3)c(cccc4)c4[nH]2)[C@@H]3C1=O |
| InChI | InChI=1S/C21H18N4O2/c26-20-13-25(22-11-14-6-2-1-3-7-14)21(27)19-10-16-15-8-4-5-9-17(15)23-18(16)12-24(19)20/h1-9,11,19,23H,10,12-13H2/t19-/m0/s1 |
| InChIK | LQDLFBOPTPCJRW-IBGZPJMESA-N |
| TotalMolweight | 358.4 |
| Molweight | 358.4 |
| MonoisotopicMass | 358.142976 |
| CLogP | 1.8145 |
| CLogS | -3.596 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.83 |
| Relative PSA | 0.22158 |
| PolarSurfaceArea | 68.77 |
| Druglikeness | 7.5104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (8S)-6-[(Z)-benzylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione | 2 - (8S)-6-[(Z)-benzylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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