N-[5-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
Formula:C18H13N5O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[5-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.
| MolName | N-[5-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide |
| MolecularFormula | C18H13N5O2Cl2S |
| Smiles | O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H13Cl2N5O2S/c19-13-7-6-12(14(20)8-13)10-21-23-15(26)9-16-24-25-18(28-16)22-17(27)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,23,26)(H,22,25,27) |
| InChIK | RMNIWYYWGNZCJC-UHFFFAOYSA-N |
| TotalMolweight | 434.306 |
| Molweight | 434.306 |
| MonoisotopicMass | 433.016699 |
| CLogP | 4.4022 |
| CLogS | -5.877 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 314.02 |
| Relative PSA | 0.3274 |
| PolarSurfaceArea | 124.58 |
| Druglikeness | 6.5147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[5-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
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