[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C29H23NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.
| MolName | [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C29H23NO5S |
| Smiles | O=C(COC(c1c(CCC/C2=C\c3cccs3)c2nc2ccccc12)=O)c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C29H23NO5S/c31-24(18-10-11-25-26(16-18)34-13-12-33-25)17-35-29(32)27-21-7-1-2-9-23(21)30-28-19(5-3-8-22(27)28)15-20-6-4-14-36-20/h1-2,4,6-7,9-11,14-16H,3,5,8,12-13,17H2 |
| InChIK | DJWBEUAABQSBIU-UHFFFAOYSA-N |
| TotalMolweight | 497.57 |
| Molweight | 497.57 |
| MonoisotopicMass | 497.129694 |
| CLogP | 5.4015 |
| CLogS | -6.749 |
| H Acceptors | 6 |
| TotalSurfaceArea | 367.85 |
| Relative PSA | 0.23762 |
| PolarSurfaceArea | 102.96 |
| Druglikeness | -6.0711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 9 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
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