2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C26H24N3OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C26H24N3OF3S |
| Smiles | O=C(CSC(C1)CN1C(c1ccccc1)c1ccccc1)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C26H24F3N3OS/c27-26(28,29)22-13-7-8-19(14-22)15-30-31-24(33)18-34-23-16-32(17-23)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-15,23,25H,16-18H2,(H,31,33) |
| InChIK | VKZCZMXWMARBNA-UHFFFAOYSA-N |
| TotalMolweight | 483.557 |
| Molweight | 483.557 |
| MonoisotopicMass | 483.159216 |
| CLogP | 5.7781 |
| CLogS | -5.684 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 356.78 |
| Relative PSA | 0.1599 |
| PolarSurfaceArea | 70 |
| Druglikeness | 0.33 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| 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 |
| StereoCon |
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1 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
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