2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C22H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H19N3O4S |
| Smiles | [O-][N+](c1ccc(CSCC(N/N=C\c2cc(Oc3ccccc3)ccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H19N3O4S/c26-22(16-30-15-17-9-11-19(12-10-17)25(27)28)24-23-14-18-5-4-8-21(13-18)29-20-6-2-1-3-7-20/h1-14H,15-16H2,(H,24,26) |
| InChIK | GDRKYBSTUCAPIR-UHFFFAOYSA-N |
| TotalMolweight | 421.476 |
| Molweight | 421.476 |
| MonoisotopicMass | 421.109627 |
| CLogP | 3.8652 |
| CLogS | -7.264 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.43 |
| Relative PSA | 0.2886 |
| PolarSurfaceArea | 121.81 |
| Druglikeness | -0.52418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[(4-nitrophenyl)methylsulfanyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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