N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide
Formula:C18H13N3O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide |
| MolecularFormula | C18H13N3O5Cl2S |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\C1=COc(ccc(Cl)c2)c2C1=O |
| InChI | InChI=1S/C18H13Cl2N3O5S/c19-12-1-4-14(5-2-12)29(26,27)22-9-17(24)23-21-8-11-10-28-16-6-3-13(20)7-15(16)18(11)25/h1-8,10,22H,9H2,(H,23,24) |
| InChIK | OEZACMNMPNCOMZ-UHFFFAOYSA-N |
| TotalMolweight | 454.289 |
| Molweight | 454.289 |
| MonoisotopicMass | 452.995296 |
| CLogP | 2.3013 |
| CLogS | -5.058 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 310.59 |
| Relative PSA | 0.31904 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 7.9437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide | 2 - N-[(Z)-(6-chloro-4-oxochromen-3-yl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide
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