N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
Formula:C24H22N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide |
| MolecularFormula | C24H22N3O5BrS |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H22BrN3O5S/c25-20-7-9-21(10-8-20)34(30,31)28(13-12-18-4-2-1-3-5-18)16-24(29)27-26-15-19-6-11-22-23(14-19)33-17-32-22/h1-11,14-15H,12-13,16-17H2,(H,27,29) |
| InChIK | ANECNZWQOSKZMB-UHFFFAOYSA-N |
| TotalMolweight | 544.425 |
| Molweight | 544.425 |
| MonoisotopicMass | 543.046353 |
| CLogP | 4.7499 |
| CLogS | -5.602 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 365.8 |
| Relative PSA | 0.24095 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | 5.2153 |
| 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 | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
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