N-[5-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Formula:C16H11N5O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[5-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[5-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
| MolecularFormula | C16H11N5O3Cl2S |
| Smiles | O=C(Cc1nnc(NC(c2ccco2)=O)s1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C16H11Cl2N5O3S/c17-10-3-1-4-11(18)9(10)8-19-21-13(24)7-14-22-23-16(27-14)20-15(25)12-5-2-6-26-12/h1-6,8H,7H2,(H,21,24)(H,20,23,25) |
| InChIK | VTBGGGFIPXNMPL-UHFFFAOYSA-N |
| TotalMolweight | 424.267 |
| Molweight | 424.267 |
| MonoisotopicMass | 422.995964 |
| CLogP | 3.5909 |
| CLogS | -5.559 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 303.71 |
| Relative PSA | 0.38497 |
| PolarSurfaceArea | 137.72 |
| Druglikeness | 6.6847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[5-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide | 2 - N-[5-[2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
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