4-morpholin-4-ylsulfonyl-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
Formula:C18H20N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide |
| MolecularFormula | C18H20N4O5S2 |
| Smiles | O=C(CNC(c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C18H20N4O5S2/c23-17(21-20-12-15-2-1-11-28-15)13-19-18(24)14-3-5-16(6-4-14)29(25,26)22-7-9-27-10-8-22/h1-6,11-12H,7-10,13H2,(H,19,24)(H,21,23) |
| InChIK | NMYAUEDBPWACDZ-UHFFFAOYSA-N |
| TotalMolweight | 436.512 |
| Molweight | 436.512 |
| MonoisotopicMass | 436.087511 |
| CLogP | 1.1947 |
| CLogS | -2.704 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 316.32 |
| Relative PSA | 0.38885 |
| PolarSurfaceArea | 153.79 |
| Druglikeness | 7.6826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - 4-morpholin-4-ylsulfonyl-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide | 2 - 4-morpholin-4-ylsulfonyl-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
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