N-[(Z)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-2-phenylacetamide
Formula:C21H23N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C21H23N3O3S |
| Smiles | [O-][N+](c(cc(/C=N\NC(Cc1ccccc1)=O)cc1)c1SC1CCCCC1)=O |
| InChI | InChI=1S/C21H23N3O3S/c25-21(14-16-7-3-1-4-8-16)23-22-15-17-11-12-20(19(13-17)24(26)27)28-18-9-5-2-6-10-18/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10,14H2,(H,23,25) |
| InChIK | ZLDBKBKAESNNRF-UHFFFAOYSA-N |
| TotalMolweight | 397.498 |
| Molweight | 397.498 |
| MonoisotopicMass | 397.146012 |
| CLogP | 4.3828 |
| CLogS | -6.318 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.71 |
| Relative PSA | 0.27096 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -4.2801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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