[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C29H24N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C29H24N2O6 |
| Smiles | O=C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)NCc(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C29H24N2O6/c32-26(30-15-18-10-11-24-25(13-18)37-17-36-24)16-35-29(33)27-21-7-1-2-9-23(21)31-28-19(5-3-8-22(27)28)14-20-6-4-12-34-20/h1-2,4,6-7,9-14H,3,5,8,15-17H2,(H,30,32) |
| InChIK | ZMZQDSCSYGQPJX-UHFFFAOYSA-N |
| TotalMolweight | 496.518 |
| Molweight | 496.518 |
| MonoisotopicMass | 496.163438 |
| CLogP | 4.3981 |
| CLogS | -6.424 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 373.06 |
| Relative PSA | 0.24827 |
| PolarSurfaceArea | 99.89 |
| Druglikeness | 0.17079 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
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