[4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C27H23N4O6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C27H23N4O6Br |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
| InChI | InChI=1S/C27H23BrN4O6/c28-20-9-7-19(8-10-20)27(36)38-21-11-5-18(6-12-21)17-29-31-25(34)24(33)30-23-4-2-1-3-22(23)26(35)32-13-15-37-16-14-32/h1-12,17H,13-16H2,(H,30,33)(H,31,34) |
| InChIK | FPURMXJQJFRHPJ-UHFFFAOYSA-N |
| TotalMolweight | 579.406 |
| Molweight | 579.406 |
| MonoisotopicMass | 578.080097 |
| CLogP | 3.9739 |
| CLogS | -5.539 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 401.93 |
| Relative PSA | 0.27403 |
| PolarSurfaceArea | 126.4 |
| Druglikeness | 3.0391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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