2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
Formula:C25H23N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C25H23N3OCl2S |
| Smiles | O=C(CSC(C1)CN1C(c1ccccc1)c1ccccc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C25H23Cl2N3OS/c26-21-12-11-20(23(27)13-21)14-28-29-24(31)17-32-22-15-30(16-22)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,25H,15-17H2,(H,29,31) |
| InChIK | QCLREPBZQMKKMA-UHFFFAOYSA-N |
| TotalMolweight | 484.45 |
| Molweight | 484.45 |
| MonoisotopicMass | 483.093886 |
| CLogP | 6.1418 |
| CLogS | -6.378 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 358.16 |
| Relative PSA | 0.15929 |
| PolarSurfaceArea | 70 |
| Druglikeness | 7.531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 9 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
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