(1S)-1-diphenylphosphoryl-N-[(R)-diphenylphosphoryl(phenyl)methyl]-2,2,2-trifluoroethanamine
Formula:C33H28NO2F3P2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S)-1-diphenylphosphoryl-N-[(R)-diphenylphosphoryl(phenyl)methyl]-2,2,2-trifluoroethanamine is not a drug-like molecule.
| MolName | (1S)-1-diphenylphosphoryl-N-[(R)-diphenylphosphoryl(phenyl)methyl]-2,2,2-trifluoroethanamine |
| MolecularFormula | C33H28NO2F3P2 |
| Smiles | O=P([C@@H](C(F)(F)F)N[C@@H](c1ccccc1)P(c1ccccc1)(c1ccccc1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C33H28F3NO2P2/c34-33(35,36)32(41(39,29-22-12-4-13-23-29)30-24-14-5-15-25-30)37-31(26-16-6-1-7-17-26)40(38,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25,31-32,37H/t31-,32+/m1/s1 |
| InChIK | MSZYQWCTAUZISV-ZWXJPIIXSA-N |
| TotalMolweight | 589.532 |
| Molweight | 589.532 |
| MonoisotopicMass | 589.154737 |
| CLogP | 7.5837 |
| CLogS | -8.762 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 425.76 |
| Relative PSA | 0.10687 |
| PolarSurfaceArea | 65.79 |
| Druglikeness | -19.863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.31707 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 6 |
| Symmetricatoms | 20 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S)-1-diphenylphosphoryl-N-[(R)-diphenylphosphoryl(phenyl)methyl]-2,2,2-trifluoroethanamine | 2 - (1S)-1-diphenylphosphoryl-N-[(R)-diphenylphosphoryl(phenyl)methyl]-2,2,2-trifluoroethanamine
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