N-[(Z)-(4-bromophenyl)methylideneamino]-2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]acetamide
Formula:C30H21N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]acetamide |
| MolecularFormula | C30H21N3O2BrCl |
| Smiles | O=C(COc(cc1)ccc1-c(cc(-c1ccccc1)c1c2)nc1ccc2Cl)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C30H21BrClN3O2/c31-23-10-6-20(7-11-23)18-33-35-30(36)19-37-25-13-8-22(9-14-25)29-17-26(21-4-2-1-3-5-21)27-16-24(32)12-15-28(27)34-29/h1-18H,19H2,(H,35,36) |
| InChIK | YRMTVFUTPRCBHT-UHFFFAOYSA-N |
| TotalMolweight | 570.873 |
| Molweight | 570.873 |
| MonoisotopicMass | 569.050565 |
| CLogP | 7.8331 |
| CLogS | -9.641 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 397.68 |
| Relative PSA | 0.14328 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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