5-benzyl-2-phenyl-3-[(E)-2-phenylethenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Formula:C26H22N2O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
5-benzyl-2-phenyl-3-[(E)-2-phenylethenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is a drug-like molecule.
| MolName | 5-benzyl-2-phenyl-3-[(E)-2-phenylethenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| MolecularFormula | C26H22N2O3 |
| Smiles | O=C(C(C1/C=C/c2ccccc2)C2ON1c1ccccc1)N(Cc1ccccc1)C2=O |
| InChI | InChI=1S/C26H22N2O3/c29-25-23-22(17-16-19-10-4-1-5-11-19)28(21-14-8-3-9-15-21)31-24(23)26(30)27(25)18-20-12-6-2-7-13-20/h1-17,22-24H,18H2/b17-16+ |
| InChIK | QKXCRZKFLOZNRP-WUKNDPDISA-N |
| TotalMolweight | 410.472 |
| Molweight | 410.472 |
| MonoisotopicMass | 410.163043 |
| CLogP | 3.6723 |
| CLogS | -4.294 |
| H Acceptors | 5 |
| TotalSurfaceArea | 309.64 |
| Relative PSA | 0.13945 |
| PolarSurfaceArea | 49.85 |
| Druglikeness | 3.954 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 5-benzyl-2-phenyl-3-[(E)-2-phenylethenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione | 2 - 5-benzyl-2-phenyl-3-[(E)-2-phenylethenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
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