(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Formula:C20H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide |
| MolecularFormula | C20H20N2O4 |
| Smiles | Cc(cc1)ccc1N(C[C@H](C1)C(NCc(cc2)cc3c2OCO3)=O)C1=O |
| InChI | InChI=1S/C20H20N2O4/c1-13-2-5-16(6-3-13)22-11-15(9-19(22)23)20(24)21-10-14-4-7-17-18(8-14)26-12-25-17/h2-8,15H,9-12H2,1H3,(H,21,24)/t15-/m0/s1 |
| InChIK | QXZJQZGFZOVBRZ-HNNXBMFYSA-N |
| TotalMolweight | 352.389 |
| Molweight | 352.389 |
| MonoisotopicMass | 352.142308 |
| CLogP | 2.4045 |
| CLogS | -4.325 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 263.08 |
| Relative PSA | 0.23221 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | 5.1571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | this enantiomer |
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1 - (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide | 2 - (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
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