N-(4-fluorophenyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
Formula:C30H29N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is not a drug-like molecule.
| MolName | N-(4-fluorophenyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide |
| MolecularFormula | C30H29N4O3F |
| Smiles | O=C(CN(CN(C1(CC2)CCN2C(/C=C/c2ccccc2)=O)c2ccccc2)C1=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C30H29FN4O3/c31-24-12-14-25(15-13-24)32-27(36)21-34-22-35(26-9-5-2-6-10-26)30(29(34)38)17-19-33(20-18-30)28(37)16-11-23-7-3-1-4-8-23/h1-16H,17-22H2,(H,32,36) |
| InChIK | UIVRYPIGVDEZBZ-UHFFFAOYSA-N |
| TotalMolweight | 512.583 |
| Molweight | 512.583 |
| MonoisotopicMass | 512.222369 |
| CLogP | 4.0282 |
| CLogS | -5.138 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 387.21 |
| Relative PSA | 0.15813 |
| PolarSurfaceArea | 72.96 |
| Druglikeness | 5.7226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-fluorophenyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
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