1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(tetrazol-1-yl)ethanone
Formula:C21H26N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(tetrazol-1-yl)ethanone is a drug-like molecule.
| MolName | 1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(tetrazol-1-yl)ethanone |
| MolecularFormula | C21H26N6O4S |
| Smiles | O=C(CS(/C=C/c1ccccc1)(=O)=O)N(CC1)CC1(CC1)CCN1C(Cn1nnnc1)=O |
| InChI | InChI=1S/C21H26N6O4S/c28-19(14-27-17-22-23-24-27)25-10-7-21(8-11-25)9-12-26(16-21)20(29)15-32(30,31)13-6-18-4-2-1-3-5-18/h1-6,13,17H,7-12,14-16H2 |
| InChIK | HRBOQBYTPCHETE-UHFFFAOYSA-N |
| TotalMolweight | 458.541 |
| Molweight | 458.541 |
| MonoisotopicMass | 458.173624 |
| CLogP | 0.2311 |
| CLogS | -2.365 |
| H Acceptors | 10 |
| TotalSurfaceArea | 336.93 |
| Relative PSA | 0.30137 |
| PolarSurfaceArea | 126.74 |
| Druglikeness | 1.6153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(tetrazol-1-yl)ethanone | 2 - 1-[2-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(tetrazol-1-yl)ethanone
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