N-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide
Formula:C19H16N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C19H16N4O4S |
| Smiles | O=C(COc1cccc2cccnc12)N/N=C(/N1Cc2ccco2)\SCC1=O |
| InChI | InChI=1S/C19H16N4O4S/c24-16(11-27-15-7-1-4-13-5-2-8-20-18(13)15)21-22-19-23(17(25)12-28-19)10-14-6-3-9-26-14/h1-9H,10-12H2,(H,21,24) |
| InChIK | NIKWLMJKHSYFDH-UHFFFAOYSA-N |
| TotalMolweight | 396.426 |
| Molweight | 396.426 |
| MonoisotopicMass | 396.089226 |
| CLogP | 1.7353 |
| CLogS | -4.229 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 291.57 |
| Relative PSA | 0.3607 |
| PolarSurfaceArea | 122.33 |
| Druglikeness | 5.5966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide | 2 - N-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide
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