N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide
Formula:C21H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide |
| MolecularFormula | C21H17N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cc2)ccc2NC(Nc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C21H17N5O4/c27-20(25-22-14-15-6-12-19(13-7-15)26(29)30)16-8-10-18(11-9-16)24-21(28)23-17-4-2-1-3-5-17/h1-14H,(H,25,27)(H2,23,24,28) |
| InChIK | OXWGLVCDWCURNE-UHFFFAOYSA-N |
| TotalMolweight | 403.397 |
| Molweight | 403.397 |
| MonoisotopicMass | 403.128055 |
| CLogP | 3.4214 |
| CLogS | -6.209 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 311.09 |
| Relative PSA | 0.32913 |
| PolarSurfaceArea | 128.41 |
| Druglikeness | -0.34517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| 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 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide | 2 - N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(phenylcarbamoylamino)benzamide
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