2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide
Formula:C16H15N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide |
| MolecularFormula | C16H15N4O2ClS |
| Smiles | NC(N/N=C\c(cc1)ccc1OCC(Nc1cccc(Cl)c1)=O)=S |
| InChI | InChI=1S/C16H15ClN4O2S/c17-12-2-1-3-13(8-12)20-15(22)10-23-14-6-4-11(5-7-14)9-19-21-16(18)24/h1-9H,10H2,(H,20,22)(H3,18,21,24) |
| InChIK | DQZOVCOMUFVYKX-UHFFFAOYSA-N |
| TotalMolweight | 362.84 |
| Molweight | 362.84 |
| MonoisotopicMass | 362.060423 |
| CLogP | 2.8604 |
| CLogS | -4.926 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 278.86 |
| Relative PSA | 0.36126 |
| PolarSurfaceArea | 120.83 |
| Druglikeness | 3.3533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide | 2 - 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenoxy]-N-(3-chlorophenyl)acetamide
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