(3R)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C16H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C16H15N3O4S |
| Smiles | O=C(CNC([C@@H]1Oc(cccc2)c2OC1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H15N3O4S/c20-15(19-18-8-11-4-3-7-24-11)9-17-16(21)14-10-22-12-5-1-2-6-13(12)23-14/h1-8,14H,9-10H2,(H,17,21)(H,19,20)/t14-/m1/s1 |
| InChIK | SHJSOPNXDCAQIL-CQSZACIVSA-N |
| TotalMolweight | 345.378 |
| Molweight | 345.378 |
| MonoisotopicMass | 345.078327 |
| CLogP | 1.694 |
| CLogS | -3.52 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 258.66 |
| Relative PSA | 0.38997 |
| PolarSurfaceArea | 117.26 |
| Druglikeness | 7.7361 |
| 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 | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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