2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C27H22N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H22N3O4BrS |
| Smiles | O=C(CN(c1cccc(Br)c1)S(c1ccccc1)(=O)=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H22BrN3O4S/c28-22-10-8-11-23(18-22)31(36(33,34)26-15-5-2-6-16-26)20-27(32)30-29-19-21-9-7-14-25(17-21)35-24-12-3-1-4-13-24/h1-19H,20H2,(H,30,32) |
| InChIK | AVJQYIMLXHKXHM-UHFFFAOYSA-N |
| TotalMolweight | 564.459 |
| Molweight | 564.459 |
| MonoisotopicMass | 563.051438 |
| CLogP | 5.1716 |
| CLogS | -8.057 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 387.78 |
| Relative PSA | 0.20151 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -4.0587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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