N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-thiomorpholin-4-ylacetamide
Formula:C16H17N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-thiomorpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-thiomorpholin-4-ylacetamide |
| MolecularFormula | C16H17N3O3S |
| Smiles | O=C(CN1CCSCC1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C16H17N3O3S/c20-15(10-19-5-7-23-8-6-19)18-17-9-12-11-22-14-4-2-1-3-13(14)16(12)21/h1-4,9,11H,5-8,10H2,(H,18,20) |
| InChIK | NVYXKCREMNRXRG-UHFFFAOYSA-N |
| TotalMolweight | 331.395 |
| Molweight | 331.395 |
| MonoisotopicMass | 331.099062 |
| CLogP | 0.5446 |
| CLogS | -2.977 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.28 |
| Relative PSA | 0.32129 |
| PolarSurfaceArea | 96.3 |
| Druglikeness | 6.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-thiomorpholin-4-ylacetamide | 2 - N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-thiomorpholin-4-ylacetamide
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