N-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Formula:C24H20N5O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
| MolecularFormula | C24H20N5O5BrS |
| Smiles | O=C(Cc1nnc(NC(c2ccco2)=O)s1)N/N=C\c(cc1)ccc1OCCOc(cc1)ccc1Br |
| InChI | InChI=1S/C24H20BrN5O5S/c25-17-5-9-19(10-6-17)34-13-12-33-18-7-3-16(4-8-18)15-26-28-21(31)14-22-29-30-24(36-22)27-23(32)20-2-1-11-35-20/h1-11,15H,12-14H2,(H,28,31)(H,27,30,32) |
| InChIK | TUHZUMNIROQFAD-UHFFFAOYSA-N |
| TotalMolweight | 570.423 |
| Molweight | 570.423 |
| MonoisotopicMass | 569.036851 |
| CLogP | 4.4591 |
| CLogS | -6.189 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 398.78 |
| Relative PSA | 0.34335 |
| PolarSurfaceArea | 156.18 |
| Druglikeness | -2.1612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide | 2 - N-[5-[2-[(2Z)-2-[[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
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