| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C20H20N4O4S3 |
| Smiles | O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C20H20N4O4S3/c25-20(22-21-14-17-7-8-18(30-17)24-9-11-28-12-10-24)15-3-5-16(6-4-15)23-31(26,27)19-2-1-13-29-19/h1-8,13-14,23H,9-12H2,(H,22,25) |
| InChIK | UZBMFOLNERQZSU-UHFFFAOYSA-N |
| TotalMolweight | 476.601 |
| Molweight | 476.601 |
| MonoisotopicMass | 476.064666 |
| CLogP | 3.215 |
| CLogS | -5.234 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 340.51 |
| Relative PSA | 0.38272 |
| PolarSurfaceArea | 164.96 |
| Druglikeness | 7.6925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide