N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-1-phenylmethanesulfonamide
Formula:C21H19N2O3BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-1-phenylmethanesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-1-phenylmethanesulfonamide |
| MolecularFormula | C21H19N2O3BrS |
| Smiles | O=S(Cc1ccccc1)(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C21H19BrN2O3S/c22-20-11-12-21(27-15-17-7-3-1-4-8-17)19(13-20)14-23-24-28(25,26)16-18-9-5-2-6-10-18/h1-14,24H,15-16H2 |
| InChIK | PUMIVDAYFJYTLE-UHFFFAOYSA-N |
| TotalMolweight | 459.363 |
| Molweight | 459.363 |
| MonoisotopicMass | 458.029974 |
| CLogP | 4.5842 |
| CLogS | -5.426 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.73 |
| Relative PSA | 0.19619 |
| PolarSurfaceArea | 76.14 |
| Druglikeness | -10.699 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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