2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-benzylideneamino]acetamide
Formula:C25H25N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-benzylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-benzylideneamino]acetamide |
| MolecularFormula | C25H25N3OS |
| Smiles | O=C(CSC(C1)CN1C(c1ccccc1)c1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C25H25N3OS/c29-24(27-26-16-20-10-4-1-5-11-20)19-30-23-17-28(18-23)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16,23,25H,17-19H2,(H,27,29) |
| InChIK | QGMQTEHMYHIFJA-UHFFFAOYSA-N |
| TotalMolweight | 415.56 |
| Molweight | 415.56 |
| MonoisotopicMass | 415.171832 |
| CLogP | 4.9298 |
| CLogS | -4.906 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 327.32 |
| Relative PSA | 0.17429 |
| PolarSurfaceArea | 70 |
| Druglikeness | 7.52 |
| Mutagenic | none |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 11 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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