N-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
Formula:C20H20N4O5ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C20H20N4O5ClFS |
| Smiles | O=C(CNC(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C20H20ClFN4O5S/c21-17-2-1-3-18(22)16(17)12-24-25-19(27)13-23-20(28)14-4-6-15(7-5-14)32(29,30)26-8-10-31-11-9-26/h1-7,12H,8-11,13H2,(H,23,28)(H,25,27) |
| InChIK | HJZYUXHMEZGQMC-UHFFFAOYSA-N |
| TotalMolweight | 482.919 |
| Molweight | 482.919 |
| MonoisotopicMass | 482.082696 |
| CLogP | 2.0349 |
| CLogS | -3.744 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 342.15 |
| Relative PSA | 0.29999 |
| PolarSurfaceArea | 125.55 |
| Druglikeness | 5.1737 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide | 2 - N-[2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
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