2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-6-propan-2-ylphenyl)acetamide
Formula:C22H23NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-6-propan-2-ylphenyl)acetamide is a drug-like molecule.
| MolName | 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-6-propan-2-ylphenyl)acetamide |
| MolecularFormula | C22H23NO4 |
| Smiles | CC(C)c(cccc1C)c1NC(COc(cc1)cc(O2)c1C(C)=CC2=O)=O |
| InChI | InChI=1S/C22H23NO4/c1-13(2)17-7-5-6-14(3)22(17)23-20(24)12-26-16-8-9-18-15(4)10-21(25)27-19(18)11-16/h5-11,13H,12H2,1-4H3,(H,23,24) |
| InChIK | BFCVRQDKSZCUEU-UHFFFAOYSA-N |
| TotalMolweight | 365.428 |
| Molweight | 365.428 |
| MonoisotopicMass | 365.162709 |
| CLogP | 3.8289 |
| CLogS | -4.606 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.49 |
| Relative PSA | 0.20084 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | -5.3505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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