| MolName | 1-(4-chlorophenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide |
| MolecularFormula | C23H23N2O3Cl |
| Smiles | O=C(C(CC1=O)(/C=C/c2ccccc2)N1c(cc1)ccc1Cl)NCC1OCCC1 |
| InChI | InChI=1S/C23H23ClN2O3/c24-18-8-10-19(11-9-18)26-21(27)15-23(26,13-12-17-5-2-1-3-6-17)22(28)25-16-20-7-4-14-29-20/h1-3,5-6,8-13,20H,4,7,14-16H2,(H,25,28) |
| InChIK | KUSYNHPHZMQYAI-UHFFFAOYSA-N |
| TotalMolweight | 410.9 |
| Molweight | 410.9 |
| MonoisotopicMass | 410.13972 |
| CLogP | 3.2213 |
| CLogS | -4.965 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.91 |
| Relative PSA | 0.16647 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | 3.2013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | unknown chirality |
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1 - 1-(4-chlorophenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide | 2 - 1-(4-chlorophenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide