2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C23H22N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H22N3O4BrS |
| Smiles | Oc1cccc(/C=N\NC(CN(CCc2ccccc2)S(c(cc2)ccc2Br)(=O)=O)=O)c1 |
| InChI | InChI=1S/C23H22BrN3O4S/c24-20-9-11-22(12-10-20)32(30,31)27(14-13-18-5-2-1-3-6-18)17-23(29)26-25-16-19-7-4-8-21(28)15-19/h1-12,15-16,28H,13-14,17H2,(H,26,29) |
| InChIK | AMQFNUHRIMTDAW-UHFFFAOYSA-N |
| TotalMolweight | 516.415 |
| Molweight | 516.415 |
| MonoisotopicMass | 515.051438 |
| CLogP | 4.2928 |
| CLogS | -4.595 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 351.89 |
| Relative PSA | 0.23087 |
| PolarSurfaceArea | 107.45 |
| Druglikeness | 5.3707 |
| 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 | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off