[4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C27H24N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C27H24N4O6 |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O)Nc(cccc1)c1C(N1CCOCC1)=O |
| InChI | InChI=1S/C27H24N4O6/c32-24(29-23-9-5-4-8-22(23)26(34)31-14-16-36-17-15-31)25(33)30-28-18-19-10-12-21(13-11-19)37-27(35)20-6-2-1-3-7-20/h1-13,18H,14-17H2,(H,29,32)(H,30,33) |
| InChIK | RWMFPVCZOLSLPF-UHFFFAOYSA-N |
| TotalMolweight | 500.51 |
| Molweight | 500.51 |
| MonoisotopicMass | 500.169586 |
| CLogP | 3.2487 |
| CLogS | -4.705 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 383.3 |
| Relative PSA | 0.28735 |
| PolarSurfaceArea | 126.4 |
| Druglikeness | 4.8291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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] benzoate | 2 - [4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off