N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C21H16N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C21H16N5O3Cl |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc(cccc1)c1C(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C21H16ClN5O3/c22-15-7-9-16(10-8-15)25-19(28)17-5-1-2-6-18(17)26-20(29)21(30)27-24-13-14-4-3-11-23-12-14/h1-13H,(H,25,28)(H,26,29)(H,27,30) |
| InChIK | WLZJKLXTDWUSOE-UHFFFAOYSA-N |
| TotalMolweight | 421.843 |
| Molweight | 421.843 |
| MonoisotopicMass | 421.094167 |
| CLogP | 2.8965 |
| CLogS | -4.978 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 319.35 |
| Relative PSA | 0.30055 |
| PolarSurfaceArea | 112.55 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
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