3-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
Formula:C21H20N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is a drug-like molecule.
| MolName | 3-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide |
| MolecularFormula | C21H20N2O3S2 |
| Smiles | O=C(CCN(C(/C(/S1)=C\c2cccs2)=O)C1=O)NC(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C21H20N2O3S2/c24-19(22-17-9-3-6-14-5-1-2-8-16(14)17)10-11-23-20(25)18(28-21(23)26)13-15-7-4-12-27-15/h1-2,4-5,7-8,12-13,17H,3,6,9-11H2,(H,22,24)/t17-/m0/s1 |
| InChIK | MGKCBXNXMAQCCF-KRWDZBQOSA-N |
| TotalMolweight | 412.533 |
| Molweight | 412.533 |
| MonoisotopicMass | 412.091533 |
| CLogP | 3.5932 |
| CLogS | -4.817 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.47 |
| Relative PSA | 0.30612 |
| PolarSurfaceArea | 120.02 |
| Druglikeness | 3.6211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide | 2 - 3-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
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