N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-2-nitroanilino]acetamide
Formula:C29H22N4O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-2-nitroanilino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-2-nitroanilino]acetamide |
| MolecularFormula | C29H22N4O5S |
| Smiles | [O-][N+](c(cccc1)c1N(CC(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C29H22N4O5S/c34-29(31-30-19-26-24-14-6-4-10-21(24)18-22-11-5-7-15-25(22)26)20-32(27-16-8-9-17-28(27)33(35)36)39(37,38)23-12-2-1-3-13-23/h1-19H,20H2,(H,31,34) |
| InChIK | LDEMWXBMGVNAKB-UHFFFAOYSA-N |
| TotalMolweight | 538.583 |
| Molweight | 538.583 |
| MonoisotopicMass | 538.131091 |
| CLogP | 4.518 |
| CLogS | -8.598 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 392.26 |
| Relative PSA | 0.25126 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -9.7787 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.41026 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-2-nitroanilino]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[N-(benzenesulfonyl)-2-nitroanilino]acetamide
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