2-(1,3-dioxoisoindol-2-yl)ethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C29H22N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-dioxoisoindol-2-yl)ethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | 2-(1,3-dioxoisoindol-2-yl)ethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C29H22N2O5 |
| Smiles | O=C(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)OCCN(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C29H22N2O5/c32-27-20-9-1-2-10-21(20)28(33)31(27)14-16-36-29(34)25-22-11-3-4-13-24(22)30-26-18(7-5-12-23(25)26)17-19-8-6-15-35-19/h1-4,6,8-11,13,15,17H,5,7,12,14,16H2 |
| InChIK | WTLFNQNHLNGBQO-UHFFFAOYSA-N |
| TotalMolweight | 478.503 |
| Molweight | 478.503 |
| MonoisotopicMass | 478.152873 |
| CLogP | 4.6139 |
| CLogS | -5.864 |
| H Acceptors | 7 |
| TotalSurfaceArea | 355.89 |
| Relative PSA | 0.21847 |
| PolarSurfaceArea | 89.71 |
| Druglikeness | 1.1257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1,3-dioxoisoindol-2-yl)ethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - 2-(1,3-dioxoisoindol-2-yl)ethyl (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off