1-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
Formula:C25H26N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide is a drug-like molecule.
| MolName | 1-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide |
| MolecularFormula | C25H26N2O4 |
| Smiles | O=C(C(CC1=O)(/C=C/c2ccccc2)N1c(cc1)cc2c1OCO2)NC1CCCCC1 |
| InChI | InChI=1S/C25H26N2O4/c28-23-16-25(14-13-18-7-3-1-4-8-18,24(29)26-19-9-5-2-6-10-19)27(23)20-11-12-21-22(15-20)31-17-30-21/h1,3-4,7-8,11-15,19H,2,5-6,9-10,16-17H2,(H,26,29)/t25-/m1/s1 |
| InChIK | ZEGRUGJNKFCDQB-RUZDIDTESA-N |
| TotalMolweight | 418.491 |
| Molweight | 418.491 |
| MonoisotopicMass | 418.189258 |
| CLogP | 3.9826 |
| CLogS | -5.829 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 315.51 |
| Relative PSA | 0.19362 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | -0.26085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - 1-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide | 2 - 1-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
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