1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(Z)-furan-2-ylmethylideneamino]oxyethanone
Formula:C17H19N3O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(Z)-furan-2-ylmethylideneamino]oxyethanone is a drug-like molecule.
| MolName | 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(Z)-furan-2-ylmethylideneamino]oxyethanone |
| MolecularFormula | C17H19N3O5S |
| Smiles | O=C(CO/N=C\c1ccco1)N(CC1)CCN1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C17H19N3O5S/c21-17(14-25-18-13-15-5-4-12-24-15)19-8-10-20(11-9-19)26(22,23)16-6-2-1-3-7-16/h1-7,12-13H,8-11,14H2 |
| InChIK | WCNPMIBZDSIBKZ-UHFFFAOYSA-N |
| TotalMolweight | 377.42 |
| Molweight | 377.42 |
| MonoisotopicMass | 377.104542 |
| CLogP | 1.9039 |
| CLogS | -1.923 |
| H Acceptors | 8 |
| TotalSurfaceArea | 279.7 |
| Relative PSA | 0.30154 |
| PolarSurfaceArea | 100.8 |
| Druglikeness | -0.066909 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(Z)-furan-2-ylmethylideneamino]oxyethanone | 2 - 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(Z)-furan-2-ylmethylideneamino]oxyethanone
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