2-[2-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C25H19N5O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate is not a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C25H19N5O4ClS |
| Smiles | [O-]C(COc1c(/C=N\NC(CSc2nnc(-c(cc3)ccc3Cl)n2-c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C25H20ClN5O4S/c26-19-12-10-17(11-13-19)24-29-30-25(31(24)20-7-2-1-3-8-20)36-16-22(32)28-27-14-18-6-4-5-9-21(18)35-15-23(33)34/h1-14H,15-16H2,(H,28,32)(H,33,34)/p-1 |
| InChIK | JLNIRVXSLWSNSG-UHFFFAOYSA-M |
| TotalMolweight | 520.976 |
| Molweight | 520.976 |
| MonoisotopicMass | 520.084627 |
| CLogP | 2.1218 |
| CLogS | -8.945 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 388.94 |
| Relative PSA | 0.30758 |
| PolarSurfaceArea | 146.83 |
| Druglikeness | 5.4011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
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