N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
Formula:C23H18N3O5Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide |
| MolecularFormula | C23H18N3O5Cl2FS |
| Smiles | O=C(CN(Cc(c(F)ccc1)c1Cl)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H18Cl2FN3O5S/c24-16-5-7-17(8-6-16)35(31,32)29(12-18-19(25)2-1-3-20(18)26)13-23(30)28-27-11-15-4-9-21-22(10-15)34-14-33-21/h1-11H,12-14H2,(H,28,30) |
| InChIK | MSWCOLLAUASVKE-UHFFFAOYSA-N |
| TotalMolweight | 538.382 |
| Molweight | 538.382 |
| MonoisotopicMass | 537.032824 |
| CLogP | 4.9074 |
| CLogS | -6.442 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 370.6 |
| Relative PSA | 0.23783 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | 5.9362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
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