2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
Formula:C24H22N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C24H22N3O5BrS |
| Smiles | O=C(CN(Cc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C24H22BrN3O5S/c25-20-8-4-7-19(13-20)15-26-27-24(29)17-28(16-18-5-2-1-3-6-18)34(30,31)21-9-10-22-23(14-21)33-12-11-32-22/h1-10,13-15H,11-12,16-17H2,(H,27,29) |
| InChIK | DTBXNIXIWQNENO-UHFFFAOYSA-N |
| TotalMolweight | 544.425 |
| Molweight | 544.425 |
| MonoisotopicMass | 543.046353 |
| CLogP | 4.1872 |
| CLogS | -4.961 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 365.8 |
| Relative PSA | 0.24095 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -4.4363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide | 2 - 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
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