2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C29H26N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C29H26N3O4BrS |
| Smiles | O=C(CN(Cc(cc1)ccc1Br)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C29H26BrN3O4S/c30-26-15-11-24(12-16-26)20-33(38(35,36)28-9-5-2-6-10-28)21-29(34)32-31-19-23-13-17-27(18-14-23)37-22-25-7-3-1-4-8-25/h1-19H,20-22H2,(H,32,34) |
| InChIK | MSNVKCQLLQHFMW-UHFFFAOYSA-N |
| TotalMolweight | 592.512 |
| Molweight | 592.512 |
| MonoisotopicMass | 591.082738 |
| CLogP | 5.5565 |
| CLogS | -6.12 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 415.3 |
| Relative PSA | 0.18815 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -10.872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
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