ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Formula:C18H17NO4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate is a drug-like molecule.
| MolName | ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate |
| MolecularFormula | C18H17NO4F2 |
| Smiles | CCOC(C([C@H]1c(ccc(F)c2)c2F)=C(N)OC(CCC2)=C1C2=O)=O |
| InChI | InChI=1S/C18H17F2NO4/c1-2-24-18(23)16-14(10-7-6-9(19)8-11(10)20)15-12(22)4-3-5-13(15)25-17(16)21/h6-8,14H,2-5,21H2,1H3/t14-/m0/s1 |
| InChIK | UNJDCYIMUGEPCS-AWEZNQCLSA-N |
| TotalMolweight | 349.332 |
| Molweight | 349.332 |
| MonoisotopicMass | 349.112565 |
| CLogP | 2.8811 |
| CLogS | -5.322 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.62 |
| Relative PSA | 0.24676 |
| PolarSurfaceArea | 78.62 |
| Druglikeness | -8.4852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate | 2 - ethyl (4S)-2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
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