N-[5-[2-[(2Z)-2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Formula:C23H17N5O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[5-[2-[(2Z)-2-[[5-chloro-2-[(2-chlorophenyl)methoxy]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-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
| MolecularFormula | C23H17N5O4Cl2S |
| Smiles | O=C(Cc1nnc(NC(c2ccco2)=O)s1)N/N=C\c(cc(cc1)Cl)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C23H17Cl2N5O4S/c24-16-7-8-18(34-13-14-4-1-2-5-17(14)25)15(10-16)12-26-28-20(31)11-21-29-30-23(35-21)27-22(32)19-6-3-9-33-19/h1-10,12H,11,13H2,(H,28,31)(H,27,30,32) |
| InChIK | QNDUYBYZWGTQDA-UHFFFAOYSA-N |
| TotalMolweight | 530.391 |
| Molweight | 530.391 |
| MonoisotopicMass | 529.037829 |
| CLogP | 4.939 |
| CLogS | -6.9 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 387.23 |
| Relative PSA | 0.32776 |
| PolarSurfaceArea | 146.95 |
| Druglikeness | 6.5644 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[5-[2-[(2Z)-2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide | 2 - N-[5-[2-[(2Z)-2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
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