2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C24H24N4OS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C24H24N4OS |
| Smiles | O=C(CSC(C1)CN1C(c1ccccc1)c1ccccc1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C24H24N4OS/c29-23(27-26-15-21-13-7-8-14-25-21)18-30-22-16-28(17-22)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-15,22,24H,16-18H2,(H,27,29) |
| InChIK | AOADSYBWDLGTST-UHFFFAOYSA-N |
| TotalMolweight | 416.548 |
| Molweight | 416.548 |
| MonoisotopicMass | 416.167081 |
| CLogP | 3.9829 |
| CLogS | -4.135 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 326.08 |
| Relative PSA | 0.2086 |
| PolarSurfaceArea | 82.89 |
| Druglikeness | 7.52 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 9 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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