N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
Formula:C23H20N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C23H20N3O4ClS |
| Smiles | [O-][N+](c1ccc(CSCC(N/N=C\c(cc2)ccc2OCc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C23H20ClN3O4S/c24-20-7-1-18(2-8-20)14-31-22-11-5-17(6-12-22)13-25-26-23(28)16-32-15-19-3-9-21(10-4-19)27(29)30/h1-13H,14-16H2,(H,26,28) |
| InChIK | CVDLPVDUEBWACB-UHFFFAOYSA-N |
| TotalMolweight | 469.948 |
| Molweight | 469.948 |
| MonoisotopicMass | 469.086304 |
| CLogP | 4.4237 |
| CLogS | -7.044 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 354.61 |
| Relative PSA | 0.26485 |
| PolarSurfaceArea | 121.81 |
| Druglikeness | -0.6743 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
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