3-(2-hydroxyphenyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]propanamide
Formula:C20H22N4O5
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3-(2-hydroxyphenyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(2-hydroxyphenyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]propanamide |
| MolecularFormula | C20H22N4O5 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CCc(cccc2)c2O)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C20H22N4O5/c25-19-4-2-1-3-15(19)5-8-20(26)22-21-14-16-13-17(24(27)28)6-7-18(16)23-9-11-29-12-10-23/h1-4,6-7,13-14,25H,5,8-12H2,(H,22,26) |
| InChIK | KFBPHDJMIHWTNI-UHFFFAOYSA-N |
| TotalMolweight | 398.418 |
| Molweight | 398.418 |
| MonoisotopicMass | 398.159021 |
| CLogP | 2.0558 |
| CLogS | -4.223 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 306.37 |
| Relative PSA | 0.30382 |
| PolarSurfaceArea | 119.98 |
| Druglikeness | -1.1134 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-(2-hydroxyphenyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]propanamide | 2 - 3-(2-hydroxyphenyl)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]propanamide
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