(2-morpholin-4-yl-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C28H26N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2-morpholin-4-yl-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | (2-morpholin-4-yl-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C28H26N2O6 |
| Smiles | O=C(COC(c1c(CCC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)N1CCOCC1 |
| InChI | InChI=1S/C28H26N2O6/c31-25(30-10-12-33-13-11-30)16-34-28(32)26-20-5-1-2-7-22(20)29-27-19(4-3-6-21(26)27)14-18-8-9-23-24(15-18)36-17-35-23/h1-2,5,7-9,14-15H,3-4,6,10-13,16-17H2 |
| InChIK | GAERKXJXRSHNJY-UHFFFAOYSA-N |
| TotalMolweight | 486.522 |
| Molweight | 486.522 |
| MonoisotopicMass | 486.179088 |
| CLogP | 4.0268 |
| CLogS | -5.124 |
| H Acceptors | 8 |
| TotalSurfaceArea | 360.23 |
| Relative PSA | 0.22375 |
| PolarSurfaceArea | 87.19 |
| Druglikeness | 1.5069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2-morpholin-4-yl-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - (2-morpholin-4-yl-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
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