[2-(cyclopropylamino)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C24H22N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(cyclopropylamino)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | [2-(cyclopropylamino)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C24H22N2O3S |
| Smiles | O=C(COC(c1c(CCC/C2=C\c3cccs3)c2nc2ccccc12)=O)NC1CC1 |
| InChI | InChI=1S/C24H22N2O3S/c27-21(25-16-10-11-16)14-29-24(28)22-18-7-1-2-9-20(18)26-23-15(5-3-8-19(22)23)13-17-6-4-12-30-17/h1-2,4,6-7,9,12-13,16H,3,5,8,10-11,14H2,(H,25,27) |
| InChIK | XVAZLIFYXAMQAX-UHFFFAOYSA-N |
| TotalMolweight | 418.516 |
| Molweight | 418.516 |
| MonoisotopicMass | 418.135113 |
| CLogP | 4.0762 |
| CLogS | -5.482 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.05 |
| Relative PSA | 0.25275 |
| PolarSurfaceArea | 96.53 |
| Druglikeness | 2.3865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-(cyclopropylamino)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-(cyclopropylamino)-2-oxoethyl] (4E)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
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