N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
Formula:C20H23N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide |
| MolecularFormula | C20H23N3O5S |
| Smiles | Oc1cccc(/C=N\NC(CCc(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)c1 |
| InChI | InChI=1S/C20H23N3O5S/c24-18-3-1-2-17(14-18)15-21-22-20(25)9-6-16-4-7-19(8-5-16)29(26,27)23-10-12-28-13-11-23/h1-5,7-8,14-15,24H,6,9-13H2,(H,22,25) |
| InChIK | NYROJDXBCKEBRC-UHFFFAOYSA-N |
| TotalMolweight | 417.485 |
| Molweight | 417.485 |
| MonoisotopicMass | 417.135842 |
| CLogP | 2.3512 |
| CLogS | -2.866 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 311.28 |
| Relative PSA | 0.29311 |
| PolarSurfaceArea | 116.68 |
| Druglikeness | 4.7842 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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