N-benzyl-2-[(Z)-benzylideneamino]oxy-N-(2-phenyl-1-thiophen-3-ylethyl)acetamide
Formula:C28H26N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(Z)-benzylideneamino]oxy-N-(2-phenyl-1-thiophen-3-ylethyl)acetamide is not a drug-like molecule.
| MolName | N-benzyl-2-[(Z)-benzylideneamino]oxy-N-(2-phenyl-1-thiophen-3-ylethyl)acetamide |
| MolecularFormula | C28H26N2O2S |
| Smiles | O=C(CO/N=C\c1ccccc1)N(Cc1ccccc1)C(Cc1ccccc1)c1cscc1 |
| InChI | InChI=1S/C28H26N2O2S/c31-28(21-32-29-19-24-12-6-2-7-13-24)30(20-25-14-8-3-9-15-25)27(26-16-17-33-22-26)18-23-10-4-1-5-11-23/h1-17,19,22,27H,18,20-21H2/t27-/m0/s1 |
| InChIK | DTKPTHIWYFIZEF-MHZLTWQESA-N |
| TotalMolweight | 454.592 |
| Molweight | 454.592 |
| MonoisotopicMass | 454.171498 |
| CLogP | 6.117 |
| CLogS | -5.476 |
| H Acceptors | 4 |
| TotalSurfaceArea | 365.07 |
| Relative PSA | 0.16013 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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