[4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Formula:C24H21N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate |
| MolecularFormula | C24H21N3O6 |
| Smiles | COc(ccc(C(Oc1ccc(/C=N\NC(C(Nc2ccccc2)=O)=O)cc1)=O)c1)c1OC |
| InChI | InChI=1S/C24H21N3O6/c1-31-20-13-10-17(14-21(20)32-2)24(30)33-19-11-8-16(9-12-19)15-25-27-23(29)22(28)26-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,26,28)(H,27,29) |
| InChIK | YSOWVAKZSKVKKS-UHFFFAOYSA-N |
| TotalMolweight | 447.446 |
| Molweight | 447.446 |
| MonoisotopicMass | 447.143037 |
| CLogP | 3.4344 |
| CLogS | -5.031 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 348.23 |
| Relative PSA | 0.29736 |
| PolarSurfaceArea | 115.32 |
| Druglikeness | 3.4073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate | 2 - [4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
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