[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C26H22N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C26H22N2O4S |
| Smiles | O=C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)NCc1cccs1 |
| InChI | InChI=1S/C26H22N2O4S/c29-23(27-15-19-8-5-13-33-19)16-32-26(30)24-20-9-1-2-11-22(20)28-25-17(6-3-10-21(24)25)14-18-7-4-12-31-18/h1-2,4-5,7-9,11-14H,3,6,10,15-16H2,(H,27,29) |
| InChIK | VYAVSZNZHIKKIE-UHFFFAOYSA-N |
| TotalMolweight | 458.537 |
| Molweight | 458.537 |
| MonoisotopicMass | 458.130028 |
| CLogP | 4.1533 |
| CLogS | -5.723 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 348.74 |
| Relative PSA | 0.26662 |
| PolarSurfaceArea | 109.67 |
| Druglikeness | 1.5798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
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