(2E)-N-(4-chloroanilino)-4-(2-oxochromen-3-yl)-1,3-thiazole-2-carboximidoyl cyanide
Formula:C20H11N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-N-(4-chloroanilino)-4-(2-oxochromen-3-yl)-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2E)-N-(4-chloroanilino)-4-(2-oxochromen-3-yl)-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C20H11N4O2ClS |
| Smiles | N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=N\Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H11ClN4O2S/c21-13-5-7-14(8-6-13)24-25-16(10-22)19-23-17(11-28-19)15-9-12-3-1-2-4-18(12)27-20(15)26/h1-9,11,24H |
| InChIK | BPFPMAHUQONIAH-UHFFFAOYSA-N |
| TotalMolweight | 406.852 |
| Molweight | 406.852 |
| MonoisotopicMass | 406.029123 |
| CLogP | 4.6075 |
| CLogS | -5.158 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 298 |
| Relative PSA | 0.30503 |
| PolarSurfaceArea | 115.61 |
| Druglikeness | -0.036654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-N-(4-chloroanilino)-4-(2-oxochromen-3-yl)-1,3-thiazole-2-carboximidoyl cyanide | 2 - (2E)-N-(4-chloroanilino)-4-(2-oxochromen-3-yl)-1,3-thiazole-2-carboximidoyl cyanide
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