| MolName | 7-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide |
| MolecularFormula | C19H12N2O4S |
| Smiles | Oc(cc1)cc(O2)c1C=C(C(Nc1nc(-c3ccccc3)cs1)=O)C2=O |
| InChI | InChI=1S/C19H12N2O4S/c22-13-7-6-12-8-14(18(24)25-16(12)9-13)17(23)21-19-20-15(10-26-19)11-4-2-1-3-5-11/h1-10,22H,(H,20,21,23) |
| InChIK | XYSHSLCVKOVSHV-UHFFFAOYSA-N |
| TotalMolweight | 364.38 |
| Molweight | 364.38 |
| MonoisotopicMass | 364.051778 |
| CLogP | 3.3535 |
| CLogS | -4.683 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262 |
| Relative PSA | 0.35103 |
| PolarSurfaceArea | 116.76 |
| Druglikeness | 1.5314 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; limit! thiazol-2-ylamine |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 7-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide | 2 - 7-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide