N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
Formula:C26H28N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide is a drug-like molecule.
| MolName | N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide |
| MolecularFormula | C26H28N2O4 |
| Smiles | O=C(C(CC1=O)(/C=C/c2ccccc2)N1c(cc1)cc2c1OCCO2)NC1CCCCC1 |
| InChI | InChI=1S/C26H28N2O4/c29-24-18-26(14-13-19-7-3-1-4-8-19,25(30)27-20-9-5-2-6-10-20)28(24)21-11-12-22-23(17-21)32-16-15-31-22/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16,18H2,(H,27,30)/t26-/m1/s1 |
| InChIK | MCQLUWZYZNQUJN-AREMUKBSSA-N |
| TotalMolweight | 432.518 |
| Molweight | 432.518 |
| MonoisotopicMass | 432.204908 |
| CLogP | 3.85 |
| CLogS | -5.3 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 329.27 |
| Relative PSA | 0.18553 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | -7.2717 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide | 2 - N-cyclohexyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
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