N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C20H21N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H21N3O5S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C20H21N3O5S/c24-20(22-21-13-15-7-8-18-19(11-15)28-14-27-18)16-5-4-6-17(12-16)29(25,26)23-9-2-1-3-10-23/h4-8,11-13H,1-3,9-10,14H2,(H,22,24) |
| InChIK | LGAWDOWDNDKSIJ-UHFFFAOYSA-N |
| TotalMolweight | 415.469 |
| Molweight | 415.469 |
| MonoisotopicMass | 415.120192 |
| CLogP | 3.5198 |
| CLogS | -4.527 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 301.43 |
| Relative PSA | 0.29241 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -0.88105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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