[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C26H21N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C26H21N3O5S |
| Smiles | O=C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)NNC(c1cccs1)=O |
| InChI | InChI=1S/C26H21N3O5S/c30-22(28-29-25(31)21-11-5-13-35-21)15-34-26(32)23-18-8-1-2-10-20(18)27-24-16(6-3-9-19(23)24)14-17-7-4-12-33-17/h1-2,4-5,7-8,10-14H,3,6,9,15H2,(H,28,30)(H,29,31) |
| InChIK | URNWYVCDWFNPLC-UHFFFAOYSA-N |
| TotalMolweight | 487.535 |
| Molweight | 487.535 |
| MonoisotopicMass | 487.120192 |
| CLogP | 3.2544 |
| CLogS | -6.089 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 364.19 |
| Relative PSA | 0.32258 |
| PolarSurfaceArea | 138.77 |
| Druglikeness | 2.0098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
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