4-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate
Formula:C20H20N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C20H20N3O5S |
| Smiles | [O-]C(c1ccc(/C=N\NC(c2cccc(S(N3CCCCC3)(=O)=O)c2)=O)cc1)=O |
| InChI | InChI=1S/C20H21N3O5S/c24-19(22-21-14-15-7-9-16(10-8-15)20(25)26)17-5-4-6-18(13-17)29(27,28)23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12H2,(H,22,24)(H,25,26)/p-1 |
| InChIK | AJFSKHNPAQOPNA-UHFFFAOYSA-M |
| TotalMolweight | 414.461 |
| Molweight | 414.461 |
| MonoisotopicMass | 414.112367 |
| CLogP | 0.8175 |
| CLogS | -3.829 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 306.45 |
| Relative PSA | 0.3115 |
| PolarSurfaceArea | 127.35 |
| Druglikeness | -2.393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoate
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