N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
Formula:C23H19N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide |
| MolecularFormula | C23H19N5O6S |
| Smiles | N#CCOc1ccc(/C=N\NC(CN(c2ccccc2)S(c(cccc2)c2[N+]([O-])=O)(=O)=O)=O)cc1 |
| InChI | InChI=1S/C23H19N5O6S/c24-14-15-34-20-12-10-18(11-13-20)16-25-26-23(29)17-27(19-6-2-1-3-7-19)35(32,33)22-9-5-4-8-21(22)28(30)31/h1-13,16H,15,17H2,(H,26,29) |
| InChIK | CIUDXKKFFUQTGQ-UHFFFAOYSA-N |
| TotalMolweight | 493.499 |
| Molweight | 493.499 |
| MonoisotopicMass | 493.105605 |
| CLogP | 1.7111 |
| CLogS | -5.852 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 368.53 |
| Relative PSA | 0.33137 |
| PolarSurfaceArea | 166.06 |
| Druglikeness | -4.0524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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