2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
Formula:C24H21N3O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C24H21N3O5Cl2S |
| Smiles | O=C(CN(Cc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C24H21Cl2N3O5S/c25-19-7-6-18(21(26)12-19)14-27-28-24(30)16-29(15-17-4-2-1-3-5-17)35(31,32)20-8-9-22-23(13-20)34-11-10-33-22/h1-9,12-14H,10-11,15-16H2,(H,28,30) |
| InChIK | SSTUCQJEDLQHEH-UHFFFAOYSA-N |
| TotalMolweight | 534.419 |
| Molweight | 534.419 |
| MonoisotopicMass | 533.057896 |
| CLogP | 4.674 |
| CLogS | -5.599 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 378.01 |
| Relative PSA | 0.23317 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -0.3853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
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