N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
Formula:C23H22N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide |
| MolecularFormula | C23H22N3O3BrS |
| Smiles | O=C(CN(CCc1ccccc1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H22BrN3O3S/c24-21-11-13-22(14-12-21)31(29,30)27(16-15-19-7-3-1-4-8-19)18-23(28)26-25-17-20-9-5-2-6-10-20/h1-14,17H,15-16,18H2,(H,26,28) |
| InChIK | IAOZPJKJUOQPLM-UHFFFAOYSA-N |
| TotalMolweight | 500.416 |
| Molweight | 500.416 |
| MonoisotopicMass | 499.056523 |
| CLogP | 4.6385 |
| CLogS | -4.891 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 345.54 |
| Relative PSA | 0.1972 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | 5.1707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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