[anilino-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)sulfanyl]methylidene]-phenylazanium
Formula:C22H18N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[anilino-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)sulfanyl]methylidene]-phenylazanium is a drug-like molecule.
| MolName | [anilino-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)sulfanyl]methylidene]-phenylazanium |
| MolecularFormula | C22H18N3O2S2 |
| Smiles | O=C(C(S/C(/Nc1ccccc1)=[NH+]/c1ccccc1)SC1=O)N1c1ccccc1 |
| InChI | InChI=1S/C22H17N3O2S2/c26-19-20(29-22(27)25(19)18-14-8-3-9-15-18)28-21(23-16-10-4-1-5-11-16)24-17-12-6-2-7-13-17/h1-15,20H,(H,23,24)/p+1/t20-/m0/s1 |
| InChIK | PMOVMNJUYQYIMP-FQEVSTJZSA-O |
| TotalMolweight | 420.536 |
| Molweight | 420.536 |
| MonoisotopicMass | 420.084042 |
| CLogP | 4.6865 |
| CLogS | -5.93 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.48 |
| Relative PSA | 0.25745 |
| PolarSurfaceArea | 113.98 |
| Druglikeness | 2.624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [anilino-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)sulfanyl]methylidene]-phenylazanium | 2 - [anilino-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)sulfanyl]methylidene]-phenylazanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off