[4-bromo-2-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C29H25N4O6Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C29H25N4O6Br |
| Smiles | O=C(/C=C/c1ccccc1)Oc(cc1)c(/C=N\NC(C(Nc(cccc2)c2C(N2CCOCC2)=O)=O)=O)cc1Br |
| InChI | InChI=1S/C29H25BrN4O6/c30-22-11-12-25(40-26(35)13-10-20-6-2-1-3-7-20)21(18-22)19-31-33-28(37)27(36)32-24-9-5-4-8-23(24)29(38)34-14-16-39-17-15-34/h1-13,18-19H,14-17H2,(H,32,36)(H,33,37) |
| InChIK | XLADWKOSGAJPGL-UHFFFAOYSA-N |
| TotalMolweight | 605.443 |
| Molweight | 605.443 |
| MonoisotopicMass | 604.095747 |
| CLogP | 4.3031 |
| CLogS | -5.909 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 428.43 |
| Relative PSA | 0.25708 |
| PolarSurfaceArea | 126.4 |
| Druglikeness | 0.87714 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-bromo-2-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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