2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C23H23N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C23H23N3OS2 |
| Smiles | O=C(CSC(C1)CN1C(c1ccccc1)c1ccccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C23H23N3OS2/c27-22(25-24-14-20-12-7-13-28-20)17-29-21-15-26(16-21)23(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,21,23H,15-17H2,(H,25,27) |
| InChIK | SJZKEZWOGBFZCR-UHFFFAOYSA-N |
| TotalMolweight | 421.588 |
| Molweight | 421.588 |
| MonoisotopicMass | 421.128252 |
| CLogP | 4.7964 |
| CLogS | -4.916 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.26 |
| Relative PSA | 0.23947 |
| PolarSurfaceArea | 98.24 |
| Druglikeness | 8.0991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 9 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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