| MolName | 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone |
| MolecularFormula | C29H34N2O4S |
| Smiles | O=C(CS(/C=C/c1ccccc1)(=O)=O)N(CC1)CC1(CC1)CCN1C(CC(C1)Cc2c1cccc2)=O |
| InChI | InChI=1S/C29H34N2O4S/c32-27(20-24-18-25-8-4-5-9-26(25)19-24)30-14-11-29(12-15-30)13-16-31(22-29)28(33)21-36(34,35)17-10-23-6-2-1-3-7-23/h1-10,17,24H,11-16,18-22H2 |
| InChIK | STNOLIRQBYSSFN-UHFFFAOYSA-N |
| TotalMolweight | 506.665 |
| Molweight | 506.665 |
| MonoisotopicMass | 506.223928 |
| CLogP | 3.7215 |
| CLogS | -4.281 |
| H Acceptors | 6 |
| TotalSurfaceArea | 377.97 |
| Relative PSA | 0.1634 |
| PolarSurfaceArea | 83.14 |
| Druglikeness | 2.4089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 9 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone | 2 - 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone