2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C27H25N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C27H25N3O5S |
| Smiles | O=C(CN(Cc1ccco1)S(c1ccccc1)(=O)=O)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C27H25N3O5S/c31-27(20-30(19-25-13-8-16-34-25)36(32,33)26-14-5-2-6-15-26)29-28-18-23-11-7-12-24(17-23)35-21-22-9-3-1-4-10-22/h1-18H,19-21H2,(H,29,31) |
| InChIK | VPDKBTKJZNTSJS-UHFFFAOYSA-N |
| TotalMolweight | 503.578 |
| Molweight | 503.578 |
| MonoisotopicMass | 503.151492 |
| CLogP | 4.02 |
| CLogS | -4.968 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 386.36 |
| Relative PSA | 0.23877 |
| PolarSurfaceArea | 109.59 |
| Druglikeness | -6.0891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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