3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]propanamide
Formula:C26H27N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]propanamide |
| MolecularFormula | C26H27N3O4S |
| Smiles | O=C(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C26H27N3O4S/c30-26(28-27-20-22-6-11-24(12-7-22)23-4-2-1-3-5-23)15-10-21-8-13-25(14-9-21)34(31,32)29-16-18-33-19-17-29/h1-9,11-14,20H,10,15-19H2,(H,28,30) |
| InChIK | MIBUOGSBYVKODP-UHFFFAOYSA-N |
| TotalMolweight | 477.583 |
| Molweight | 477.583 |
| MonoisotopicMass | 477.172227 |
| CLogP | 4.3561 |
| CLogS | -5.248 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 364.69 |
| Relative PSA | 0.21426 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 4.5441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]propanamide | 2 - 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off