N-[(Z)-[2,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide
Formula:C28H23N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C28H23N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(ccc(OCc1ccccc1)c1)c1OCc1ccccc1)=O)=O |
| InChI | InChI=1S/C28H23N3O5/c32-28(23-11-14-25(15-12-23)31(33)34)30-29-18-24-13-16-26(35-19-21-7-3-1-4-8-21)17-27(24)36-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,30,32) |
| InChIK | OKTVBPCRMWGQPH-UHFFFAOYSA-N |
| TotalMolweight | 481.507 |
| Molweight | 481.507 |
| MonoisotopicMass | 481.163772 |
| CLogP | 4.9762 |
| CLogS | -6.863 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 377.7 |
| Relative PSA | 0.22883 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[2,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide
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