N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]acetamide
Formula:C25H24N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]acetamide |
| MolecularFormula | C25H24N3O5ClS |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H24ClN3O5S/c26-21-8-6-20(7-9-21)17-27-28-25(30)18-29(13-12-19-4-2-1-3-5-19)35(31,32)22-10-11-23-24(16-22)34-15-14-33-23/h1-11,16-17H,12-15,18H2,(H,28,30) |
| InChIK | CTZJVFRRDUVMMZ-UHFFFAOYSA-N |
| TotalMolweight | 514.001 |
| Molweight | 514.001 |
| MonoisotopicMass | 513.112519 |
| CLogP | 4.4981 |
| CLogS | -4.975 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 376.35 |
| Relative PSA | 0.2342 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -0.28665 |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]acetamide
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