| MolName | N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide |
| MolecularFormula | C30H33N2O6F3 |
| Smiles | CC(C)Oc(cc1)ccc1C(N[C@](C(F)(F)F)(C(C(CC(C)(C)C1)=O)=C1N1Cc(cccc2OC)c2OC)C1=O)=O |
| InChI | InChI=1S/C30H33F3N2O6/c1-17(2)41-20-12-10-18(11-13-20)26(37)34-29(30(31,32)33)24-21(14-28(3,4)15-22(24)36)35(27(29)38)16-19-8-7-9-23(39-5)25(19)40-6/h7-13,17H,14-16H2,1-6H3,(H,34,37)/t29-/m1/s1 |
| InChIK | SSIHMWWVSUBFSM-GDLZYMKVSA-N |
| TotalMolweight | 574.594 |
| Molweight | 574.594 |
| MonoisotopicMass | 574.229072 |
| CLogP | 4.5723 |
| CLogS | -5.643 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 411.57 |
| Relative PSA | 0.20441 |
| PolarSurfaceArea | 94.17 |
| Druglikeness | -2.6729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43902 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 16 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide | 2 - N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-propan-2-yloxybenzamide