3-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
Formula:C22H21N3O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide |
| MolecularFormula | C22H21N3O4S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C22H21N3O4S/c26-22(24-23-16-19-8-3-6-17-5-1-2-10-21(17)19)18-7-4-9-20(15-18)30(27,28)25-11-13-29-14-12-25/h1-10,15-16H,11-14H2,(H,24,26) |
| InChIK | VQMBYFXEHOKOMB-UHFFFAOYSA-N |
| TotalMolweight | 423.492 |
| Molweight | 423.492 |
| MonoisotopicMass | 423.125277 |
| CLogP | 3.4388 |
| CLogS | -4.533 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.01 |
| Relative PSA | 0.25044 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 0.0067965 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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