N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(thiophen-2-ylmethyl)azetidine-2-carboxamide
Formula:C23H26N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(thiophen-2-ylmethyl)azetidine-2-carboxamide is a drug-like molecule.
| MolName | N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(thiophen-2-ylmethyl)azetidine-2-carboxamide |
| MolecularFormula | C23H26N2O2S |
| Smiles | O=C(C(C1)(/C=C/c2ccccc2)N(Cc2cccs2)C1=O)NC1CCCCC1 |
| InChI | InChI=1S/C23H26N2O2S/c26-21-16-23(14-13-18-8-3-1-4-9-18,25(21)17-20-12-7-15-28-20)22(27)24-19-10-5-2-6-11-19/h1,3-4,7-9,12-15,19H,2,5-6,10-11,16-17H2,(H,24,27)/t23-/m1/s1 |
| InChIK | XFEWDOUSZFHHFD-HSZRJFAPSA-N |
| TotalMolweight | 394.537 |
| Molweight | 394.537 |
| MonoisotopicMass | 394.171498 |
| CLogP | 3.6607 |
| CLogS | -4.606 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.95 |
| Relative PSA | 0.20151 |
| PolarSurfaceArea | 77.65 |
| Druglikeness | 2.459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(thiophen-2-ylmethyl)azetidine-2-carboxamide | 2 - N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(thiophen-2-ylmethyl)azetidine-2-carboxamide
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