2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C28H24N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C28H24N3O4BrS |
| Smiles | O=C(CN(c(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C28H24BrN3O4S/c29-24-13-15-25(16-14-24)32(37(34,35)27-9-5-2-6-10-27)20-28(33)31-30-19-22-11-17-26(18-12-22)36-21-23-7-3-1-4-8-23/h1-19H,20-21H2,(H,31,33) |
| InChIK | HASFYUHTUYIBMD-UHFFFAOYSA-N |
| TotalMolweight | 578.486 |
| Molweight | 578.486 |
| MonoisotopicMass | 577.067088 |
| CLogP | 5.1241 |
| CLogS | -7.101 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 401.54 |
| Relative PSA | 0.1946 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -11.48 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off