2-[(Z)-furan-2-ylmethylideneamino]oxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
Formula:C21H21N3O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-furan-2-ylmethylideneamino]oxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone is a drug-like molecule.
| MolName | 2-[(Z)-furan-2-ylmethylideneamino]oxy-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone |
| MolecularFormula | C21H21N3O5S |
| Smiles | O=C(CO/N=C\c1ccco1)N(CC1)CCN1S(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C21H21N3O5S/c25-21(16-29-22-15-19-6-3-13-28-19)23-9-11-24(12-10-23)30(26,27)20-8-7-17-4-1-2-5-18(17)14-20/h1-8,13-15H,9-12,16H2 |
| InChIK | GEABMLATCWIGKG-UHFFFAOYSA-N |
| TotalMolweight | 427.48 |
| Molweight | 427.48 |
| MonoisotopicMass | 427.120192 |
| CLogP | 3.0983 |
| CLogS | -3.529 |
| H Acceptors | 8 |
| TotalSurfaceArea | 314.3 |
| Relative PSA | 0.26834 |
| PolarSurfaceArea | 100.8 |
| Druglikeness | 5.5068 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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