(3S)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C19H17N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C19H17N3O6 |
| Smiles | O=C(CNC([C@H]1Oc(cccc2)c2OC1)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H17N3O6/c23-18(22-21-8-12-5-6-14-16(7-12)27-11-26-14)9-20-19(24)17-10-25-13-3-1-2-4-15(13)28-17/h1-8,17H,9-11H2,(H,20,24)(H,22,23)/t17-/m0/s1 |
| InChIK | NYLTWNJASUTXOV-KRWDZBQOSA-N |
| TotalMolweight | 383.359 |
| Molweight | 383.359 |
| MonoisotopicMass | 383.111737 |
| CLogP | 1.9388 |
| CLogS | -4.221 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 282.98 |
| Relative PSA | 0.35518 |
| PolarSurfaceArea | 107.48 |
| Druglikeness | 6.1792 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3S)-N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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