[4-bromo-2-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C24H16N5O4BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C24H16N5O4BrS |
| Smiles | O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C24H16BrN5O4S/c25-18-11-12-19(34-23(33)16-9-5-2-6-10-16)17(13-18)14-26-28-21(32)20(31)27-24-30-29-22(35-24)15-7-3-1-4-8-15/h1-14H,(H,28,32)(H,27,30,31) |
| InChIK | DIZOBQLOGUTJDP-UHFFFAOYSA-N |
| TotalMolweight | 550.392 |
| Molweight | 550.392 |
| MonoisotopicMass | 549.010636 |
| CLogP | 4.9676 |
| CLogS | -6.333 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 375.56 |
| Relative PSA | 0.3351 |
| PolarSurfaceArea | 150.88 |
| Druglikeness | 3.0543 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
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