5-[(Z)-benzylideneamino]-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:C28H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-benzylideneamino]-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.
| MolName | 5-[(Z)-benzylideneamino]-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 |
| MolecularFormula | C28H17N4O2Cl |
| Smiles | O=C(c(oc1c2c(-c3ccccc3)cc(-c(cc3)ccc3Cl)n1)c2N=C1)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C28H17ClN4O2/c29-21-13-11-20(12-14-21)23-15-22(19-9-5-2-6-10-19)24-25-26(35-27(24)32-23)28(34)33(17-30-25)31-16-18-7-3-1-4-8-18/h1-17H |
| InChIK | FPBRWUBAIUJJMH-UHFFFAOYSA-N |
| TotalMolweight | 476.922 |
| Molweight | 476.922 |
| MonoisotopicMass | 476.104003 |
| CLogP | 6.275 |
| CLogS | -9.632 |
| H Acceptors | 6 |
| TotalSurfaceArea | 355.08 |
| Relative PSA | 0.18218 |
| PolarSurfaceArea | 71.06 |
| Druglikeness | 4.5401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(Z)-benzylideneamino]-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 | 2 - 5-[(Z)-benzylideneamino]-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
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