(3R)-1,1-dioxo-N-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiolan-3-amine
Formula:C19H18N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-1,1-dioxo-N-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiolan-3-amine is a drug-like molecule.
| MolName | (3R)-1,1-dioxo-N-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiolan-3-amine |
| MolecularFormula | C19H18N2O4S |
| Smiles | O=S(CC1)(C[C@@H]1N/N=C\C1=C(c2ccccc2)Oc(cccc2)c2O1)=O |
| InChI | InChI=1S/C19H18N2O4S/c22-26(23)11-10-15(13-26)21-20-12-18-19(14-6-2-1-3-7-14)25-17-9-5-4-8-16(17)24-18/h1-9,12,15,21H,10-11,13H2/t15-/m0/s1 |
| InChIK | NFLKWBCGCYJXJL-HNNXBMFYSA-N |
| TotalMolweight | 370.428 |
| Molweight | 370.428 |
| MonoisotopicMass | 370.098728 |
| CLogP | 2.3445 |
| CLogS | -4.397 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 267.52 |
| Relative PSA | 0.26746 |
| PolarSurfaceArea | 85.37 |
| Druglikeness | 0.6381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-1,1-dioxo-N-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiolan-3-amine | 2 - (3R)-1,1-dioxo-N-[(Z)-(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]thiolan-3-amine
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