5-benzyl-4,6-dioxo-3-phenyl-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
Formula:C28H24N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-benzyl-4,6-dioxo-3-phenyl-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.
| MolName | 5-benzyl-4,6-dioxo-3-phenyl-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid |
| MolecularFormula | C28H24N2O4 |
| Smiles | OC(C(C(C1C(N2Cc3ccccc3)=O)C2=O)(c2ccccc2)NC1/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C28H24N2O4/c31-25-23-22(17-16-19-10-4-1-5-11-19)29-28(27(33)34,21-14-8-3-9-15-21)24(23)26(32)30(25)18-20-12-6-2-7-13-20/h1-17,22-24,29H,18H2,(H,33,34)/b17-16+ |
| InChIK | ULUMIGGDYLSHBW-WUKNDPDISA-N |
| TotalMolweight | 452.509 |
| Molweight | 452.509 |
| MonoisotopicMass | 452.173608 |
| CLogP | 0.8878 |
| CLogS | -4.332 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 335.31 |
| Relative PSA | 0.2005 |
| PolarSurfaceArea | 86.71 |
| Druglikeness | 4.1803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 5-benzyl-4,6-dioxo-3-phenyl-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 5-benzyl-4,6-dioxo-3-phenyl-1-[(E)-2-phenylethenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
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