2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C22H19N4O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N4O5BrS |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CN(Cc(cc2)ccc2Br)S(c2ccccc2)(=O)=O)=O)c1)=O |
| InChI | InChI=1S/C22H19BrN4O5S/c23-19-11-9-17(10-12-19)15-26(33(31,32)21-7-2-1-3-8-21)16-22(28)25-24-14-18-5-4-6-20(13-18)27(29)30/h1-14H,15-16H2,(H,25,28) |
| InChIK | BITGYYXLYMIJAZ-UHFFFAOYSA-N |
| TotalMolweight | 531.386 |
| Molweight | 531.386 |
| MonoisotopicMass | 530.025952 |
| CLogP | 3.2868 |
| CLogS | -5.239 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 355.45 |
| Relative PSA | 0.27728 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -7.433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
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