(3R)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H15N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H15N3O4Cl2 |
| Smiles | O=C(CNC([C@@H]1Oc(cccc2)c2OC1)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H15Cl2N3O4/c19-12-6-5-11(13(20)7-12)8-22-23-17(24)9-21-18(25)16-10-26-14-3-1-2-4-15(14)27-16/h1-8,16H,9-10H2,(H,21,25)(H,23,24)/t16-/m1/s1 |
| InChIK | SOGORDJSGOFIBT-MRXNPFEDSA-N |
| TotalMolweight | 408.24 |
| Molweight | 408.24 |
| MonoisotopicMass | 407.043961 |
| CLogP | 3.0394 |
| CLogS | -4.982 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.56 |
| Relative PSA | 0.27425 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 6.2516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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