[4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C29H21N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C29H21N4O5Br |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1cccc(Br)c1)=O)=O)Nc(cccc1)c1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C29H21BrN4O5/c30-21-8-6-7-20(17-21)29(38)39-23-15-13-19(14-16-23)18-31-34-28(37)27(36)33-25-12-5-4-11-24(25)26(35)32-22-9-2-1-3-10-22/h1-18H,(H,32,35)(H,33,36)(H,34,37) |
| InChIK | IUENHBJYGVKGNY-UHFFFAOYSA-N |
| TotalMolweight | 585.413 |
| Molweight | 585.413 |
| MonoisotopicMass | 584.069532 |
| CLogP | 5.4471 |
| CLogS | -7.341 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 411.31 |
| Relative PSA | 0.2627 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | 1.585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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