2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide
Formula:C26H24N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C26H24N3O2F3S |
| Smiles | O=C(CSC(C1)CN1C(c1ccccc1)c1ccccc1)N/N=C\c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C26H24F3N3O2S/c27-26(28,29)34-22-13-11-19(12-14-22)15-30-31-24(33)18-35-23-16-32(17-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,23,25H,16-18H2,(H,31,33) |
| InChIK | LSAIVPKWFUXNPN-UHFFFAOYSA-N |
| TotalMolweight | 499.556 |
| Molweight | 499.556 |
| MonoisotopicMass | 499.154131 |
| CLogP | 6.0288 |
| CLogS | -5.929 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 366.78 |
| Relative PSA | 0.18281 |
| PolarSurfaceArea | 79.23 |
| Druglikeness | -0.58008 |
| 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 | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 13 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide | 2 - 2-(1-benzhydrylazetidin-3-yl)sulfanyl-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide
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