N-[(4-chlorophenyl)methyl]-2-[(Z)-[3-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-oxopropylidene]amino]oxyacetamide
Formula:C25H21N3O7Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-chlorophenyl)methyl]-2-[(Z)-[3-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-oxopropylidene]amino]oxyacetamide is not a drug-like molecule.
| MolName | N-[(4-chlorophenyl)methyl]-2-[(Z)-[3-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-oxopropylidene]amino]oxyacetamide |
| MolecularFormula | C25H21N3O7Cl2S |
| Smiles | [O-][N+](c(cc1)c(CS(c(cc2)ccc2Cl)(=O)=O)cc1C(C/C=N\OCC(NCc(cc1)ccc1Cl)=O)=O)=O |
| InChI | InChI=1S/C25H21Cl2N3O7S/c26-20-4-1-17(2-5-20)14-28-25(32)15-37-29-12-11-24(31)18-3-10-23(30(33)34)19(13-18)16-38(35,36)22-8-6-21(27)7-9-22/h1-10,12-13H,11,14-16H2,(H,28,32) |
| InChIK | BLPRKLQOYPIXCU-UHFFFAOYSA-N |
| TotalMolweight | 578.428 |
| Molweight | 578.428 |
| MonoisotopicMass | 577.047726 |
| CLogP | 2.9493 |
| CLogS | -7.677 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 412.63 |
| Relative PSA | 0.28609 |
| PolarSurfaceArea | 156.1 |
| Druglikeness | -4.063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(4-chlorophenyl)methyl]-2-[(Z)-[3-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-oxopropylidene]amino]oxyacetamide | 2 - N-[(4-chlorophenyl)methyl]-2-[(Z)-[3-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-oxopropylidene]amino]oxyacetamide
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