N-(furan-2-ylmethyl)-2-[4-[(Z)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
Formula:C23H22N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(furan-2-ylmethyl)-2-[4-[(Z)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | N-(furan-2-ylmethyl)-2-[4-[(Z)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C23H22N4O6S |
| Smiles | [O-][N+](c1ccc(CSCC(N/N=C\c(cc2)ccc2OCC(NCc2ccco2)=O)=O)cc1)=O |
| InChI | InChI=1S/C23H22N4O6S/c28-22(24-13-21-2-1-11-32-21)14-33-20-9-5-17(6-10-20)12-25-26-23(29)16-34-15-18-3-7-19(8-4-18)27(30)31/h1-12H,13-16H2,(H,24,28)(H,26,29) |
| InChIK | IYDMATBYCQDXBF-UHFFFAOYSA-N |
| TotalMolweight | 482.516 |
| Molweight | 482.516 |
| MonoisotopicMass | 482.126006 |
| CLogP | 2.0901 |
| CLogS | -5.757 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 371.85 |
| Relative PSA | 0.35641 |
| PolarSurfaceArea | 164.05 |
| Druglikeness | 0.48422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73529 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(furan-2-ylmethyl)-2-[4-[(Z)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide | 2 - N-(furan-2-ylmethyl)-2-[4-[(Z)-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
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