| MolName | N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide |
| MolecularFormula | C27H30N2O4 |
| Smiles | Cc(cccc1)c1N([C@@H](C(NC1CCCCC1)=O)c(cc1)ccc1OC)C(c1ccco1)=O |
| InChI | InChI=1S/C27H30N2O4/c1-19-9-6-7-12-23(19)29(27(31)24-13-8-18-33-24)25(20-14-16-22(32-2)17-15-20)26(30)28-21-10-4-3-5-11-21/h6-9,12-18,21,25H,3-5,10-11H2,1-2H3,(H,28,30)/t25-/m1/s1 |
| InChIK | JDYHUVWRMSSYNU-RUZDIDTESA-N |
| TotalMolweight | 446.545 |
| Molweight | 446.545 |
| MonoisotopicMass | 446.220558 |
| CLogP | 4.457 |
| CLogS | -5.583 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 354.55 |
| Relative PSA | 0.1839 |
| PolarSurfaceArea | 71.78 |
| Druglikeness | 0.19108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide | 2 - N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide