N-[5-[2-[(2Z)-2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
Formula:C25H19N5O3BrFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[5-[2-[(2Z)-2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[5-[2-[(2Z)-2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide |
| MolecularFormula | C25H19N5O3BrFS |
| Smiles | O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c(cc(cc1)Br)c1OCc(cc1)ccc1F |
| InChI | InChI=1S/C25H19BrFN5O3S/c26-19-8-11-21(35-15-16-6-9-20(27)10-7-16)18(12-19)14-28-30-22(33)13-23-31-32-25(36-23)29-24(34)17-4-2-1-3-5-17/h1-12,14H,13,15H2,(H,30,33)(H,29,32,34) |
| InChIK | DFNTXKFEFLZAGW-UHFFFAOYSA-N |
| TotalMolweight | 568.426 |
| Molweight | 568.426 |
| MonoisotopicMass | 567.037599 |
| CLogP | 5.3643 |
| CLogS | -6.894 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 391.68 |
| Relative PSA | 0.28802 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | 3.0967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[5-[2-[(2Z)-2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[2-[(2Z)-2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
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