2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C24H22N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C24H22N3O5BrS |
| Smiles | OC(c1c(/C=N\NC(CN(CCc2ccccc2)S(c(cc2)ccc2Br)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C24H22BrN3O5S/c25-20-10-12-21(13-11-20)34(32,33)28(15-14-18-6-2-1-3-7-18)17-23(29)27-26-16-19-8-4-5-9-22(19)24(30)31/h1-13,16H,14-15,17H2,(H,27,29)(H,30,31) |
| InChIK | XBAHMULXXIBZKP-UHFFFAOYSA-N |
| TotalMolweight | 544.425 |
| Molweight | 544.425 |
| MonoisotopicMass | 543.046353 |
| CLogP | 4.1236 |
| CLogS | -4.904 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 369.64 |
| Relative PSA | 0.25506 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | 2.5985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
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