1-(2-phenylethyl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one
Formula:C28H33N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2-phenylethyl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one is a drug-like molecule.
| MolName | 1-(2-phenylethyl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one |
| MolecularFormula | C28H33N3O3S |
| Smiles | O=C(C(C1)CN(CCc2ccccc2)C1=O)N(CC1)CC1(CC1)CCN1C(/C=C/c1cscc1)=O |
| InChI | InChI=1S/C28H33N3O3S/c32-25(7-6-23-9-17-35-20-23)29-14-10-28(11-15-29)12-16-31(21-28)27(34)24-18-26(33)30(19-24)13-8-22-4-2-1-3-5-22/h1-7,9,17,20,24H,8,10-16,18-19,21H2/t24-/m0/s1 |
| InChIK | JNDQPSQEKSNCAS-DEOSSOPVSA-N |
| TotalMolweight | 491.654 |
| Molweight | 491.654 |
| MonoisotopicMass | 491.224262 |
| CLogP | 3.8347 |
| CLogS | -3.429 |
| H Acceptors | 6 |
| TotalSurfaceArea | 373.38 |
| Relative PSA | 0.18782 |
| PolarSurfaceArea | 89.17 |
| Druglikeness | 5.7811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-(2-phenylethyl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one | 2 - 1-(2-phenylethyl)-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one
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