N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C18H19N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C18H19N3O5S |
| Smiles | Oc1cccc(/C=N\NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)c1 |
| InChI | InChI=1S/C18H19N3O5S/c22-16-5-1-3-14(11-16)13-19-20-18(23)15-4-2-6-17(12-15)27(24,25)21-7-9-26-10-8-21/h1-6,11-13,22H,7-10H2,(H,20,23) |
| InChIK | SZTYYWSXZYVFRO-UHFFFAOYSA-N |
| TotalMolweight | 389.431 |
| Molweight | 389.431 |
| MonoisotopicMass | 389.104542 |
| CLogP | 1.8987 |
| CLogS | -2.631 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 283.76 |
| Relative PSA | 0.32154 |
| PolarSurfaceArea | 116.68 |
| Druglikeness | 0.42592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
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