N-[2-oxo-2-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
Formula:C25H29N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide |
| MolecularFormula | C25H29N3O6S |
| Smiles | O=C(CS(/C=C/c1ccccc1)(=O)=O)N(CC1)CC1(CC1)CCN1C(CNC(c1ccco1)=O)=O |
| InChI | InChI=1S/C25H29N3O6S/c29-22(17-26-24(31)21-7-4-15-34-21)27-12-9-25(10-13-27)11-14-28(19-25)23(30)18-35(32,33)16-8-20-5-2-1-3-6-20/h1-8,15-16H,9-14,17-19H2,(H,26,31) |
| InChIK | XKIWAKZYSUGZHJ-UHFFFAOYSA-N |
| TotalMolweight | 499.586 |
| Molweight | 499.586 |
| MonoisotopicMass | 499.177707 |
| CLogP | 1.2168 |
| CLogS | -3.016 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 370.35 |
| Relative PSA | 0.27101 |
| PolarSurfaceArea | 125.38 |
| Druglikeness | 3.1441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-oxo-2-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide | 2 - N-[2-oxo-2-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide
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