[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
Formula:C19H15N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate |
| MolecularFormula | C19H15N3O6S |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1)ccc1OC(C[C@@H](C(N1)=O)SC1=O)=O)=O |
| InChI | InChI=1S/C19H15N3O6S/c23-14-4-2-1-3-13(14)17(25)22-20-10-11-5-7-12(8-6-11)28-16(24)9-15-18(26)21-19(27)29-15/h1-8,10,15,23H,9H2,(H,22,25)(H,21,26,27)/t15-/m0/s1 |
| InChIK | RVAWLGYNVOGSQE-HNNXBMFYSA-N |
| TotalMolweight | 413.409 |
| Molweight | 413.409 |
| MonoisotopicMass | 413.068157 |
| CLogP | 2.3679 |
| CLogS | -4.526 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 298.3 |
| Relative PSA | 0.42635 |
| PolarSurfaceArea | 159.46 |
| Druglikeness | 6.2294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate | 2 - [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
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