N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C21H23N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C21H23N3O5S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C21H23N3O5S/c25-21(23-22-15-16-7-8-19-20(13-16)29-12-11-28-19)17-5-4-6-18(14-17)30(26,27)24-9-2-1-3-10-24/h4-8,13-15H,1-3,9-12H2,(H,23,25) |
| InChIK | ZYSHCHUTOTWXMF-UHFFFAOYSA-N |
| TotalMolweight | 429.496 |
| Molweight | 429.496 |
| MonoisotopicMass | 429.135842 |
| CLogP | 3.3872 |
| CLogS | -3.998 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 315.19 |
| Relative PSA | 0.27964 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -7.8788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide
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