N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C29H24N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C29H24N3O4Br |
| Smiles | OC(C(N/N=C\c(cc1)cc(Br)c1OCC(Nc1ccccc1)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C29H24BrN3O4/c30-25-18-21(16-17-26(25)37-20-27(34)32-24-14-8-3-9-15-24)19-31-33-28(35)29(36,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,36H,20H2,(H,32,34)(H,33,35) |
| InChIK | ABTALECIQXDYBY-UHFFFAOYSA-N |
| TotalMolweight | 558.431 |
| Molweight | 558.431 |
| MonoisotopicMass | 557.095018 |
| CLogP | 4.9295 |
| CLogS | -6.553 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 394.87 |
| Relative PSA | 0.21174 |
| PolarSurfaceArea | 100.02 |
| Druglikeness | 3.9461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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