[4-bromo-2-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C24H15N5O4BrClS
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] 4-chlorobenzoate 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] 4-chlorobenzoate |
| MolecularFormula | C24H15N5O4BrClS |
| Smiles | O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C24H15BrClN5O4S/c25-17-8-11-19(35-23(34)15-6-9-18(26)10-7-15)16(12-17)13-27-29-21(33)20(32)28-24-31-30-22(36-24)14-4-2-1-3-5-14/h1-13H,(H,29,33)(H,28,31,32) |
| InChIK | OWUCUYSUXHLZOB-UHFFFAOYSA-N |
| TotalMolweight | 584.837 |
| Molweight | 584.837 |
| MonoisotopicMass | 582.971663 |
| CLogP | 5.5736 |
| CLogS | -7.069 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 390.98 |
| Relative PSA | 0.32188 |
| PolarSurfaceArea | 150.88 |
| Druglikeness | 3.0949 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| 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] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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