2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C25H24N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C25H24N4O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CSC(C2)CN2C(c2ccccc2)c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C25H24N4O3S/c30-24(27-26-15-19-11-13-22(14-12-19)29(31)32)18-33-23-16-28(17-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,23,25H,16-18H2,(H,27,30) |
| InChIK | KYILPOZIOUSGDA-UHFFFAOYSA-N |
| TotalMolweight | 460.557 |
| Molweight | 460.557 |
| MonoisotopicMass | 460.156911 |
| CLogP | 3.0817 |
| CLogS | -5.366 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 350.99 |
| Relative PSA | 0.24921 |
| PolarSurfaceArea | 115.82 |
| Druglikeness | 2.4036 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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