N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
Formula:C29H23N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide |
| MolecularFormula | C29H23N4O5Cl |
| Smiles | O=C(COc1ccc(/C=N\NC(C(Nc(cc2)ccc2Oc2ccccc2)=O)=O)cc1)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C29H23ClN4O5/c30-25-8-4-5-9-26(25)33-27(35)19-38-22-14-10-20(11-15-22)18-31-34-29(37)28(36)32-21-12-16-24(17-13-21)39-23-6-2-1-3-7-23/h1-18H,19H2,(H,32,36)(H,33,35)(H,34,37) |
| InChIK | SHVBJQHJPVLWNB-UHFFFAOYSA-N |
| TotalMolweight | 542.978 |
| Molweight | 542.978 |
| MonoisotopicMass | 542.135698 |
| CLogP | 4.8679 |
| CLogS | -7.85 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 414.11 |
| Relative PSA | 0.25358 |
| PolarSurfaceArea | 118.12 |
| Druglikeness | 3.5754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide | 2 - N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
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