2-[2-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C20H16N4O4ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate is not a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C20H16N4O4ClS3 |
| Smiles | [O-]C(COc1c(/C=N\NC(CSc2nnc(SCc(cccc3)c3Cl)s2)=O)cccc1)=O |
| InChI | InChI=1S/C20H17ClN4O4S3/c21-15-7-3-1-6-14(15)11-30-19-24-25-20(32-19)31-12-17(26)23-22-9-13-5-2-4-8-16(13)29-10-18(27)28/h1-9H,10-12H2,(H,23,26)(H,27,28)/p-1 |
| InChIK | LRHNRHGBOCURQB-UHFFFAOYSA-M |
| TotalMolweight | 508.022 |
| Molweight | 508.022 |
| MonoisotopicMass | 507.002218 |
| CLogP | 2.003 |
| CLogS | -6.869 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 367.17 |
| Relative PSA | 0.41019 |
| PolarSurfaceArea | 195.44 |
| Druglikeness | 5.0617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 11 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
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