2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C29H23N4O6F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C29H23N4O6F3S |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(CN(c3cc(C(F)(F)F)ccc3)S(c3ccccc3)(=O)=O)=O)cc2)cc1)=O |
| InChI | InChI=1S/C29H23F3N4O6S/c30-29(31,32)23-5-4-6-25(17-23)35(43(40,41)27-7-2-1-3-8-27)19-28(37)34-33-18-21-11-15-26(16-12-21)42-20-22-9-13-24(14-10-22)36(38)39/h1-18H,19-20H2,(H,34,37) |
| InChIK | POEMDRMMUOZWNE-UHFFFAOYSA-N |
| TotalMolweight | 612.584 |
| Molweight | 612.584 |
| MonoisotopicMass | 612.12904 |
| CLogP | 4.3256 |
| CLogS | -7.505 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 436.04 |
| Relative PSA | 0.24897 |
| PolarSurfaceArea | 142.27 |
| Druglikeness | -17.307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53488 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 9 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
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