(2E,5Z)-5-benzylidene-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Formula:C21H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,5Z)-5-benzylidene-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E,5Z)-5-benzylidene-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C21H15N3OS |
| Smiles | O=C(/C(/S/C1=N/c2ncccc2)=C/c2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C21H15N3OS/c25-20-18(15-16-9-3-1-4-10-16)26-21(23-19-13-7-8-14-22-19)24(20)17-11-5-2-6-12-17/h1-15H |
| InChIK | IMGBDDGGQPSXDA-UHFFFAOYSA-N |
| TotalMolweight | 357.436 |
| Molweight | 357.436 |
| MonoisotopicMass | 357.093582 |
| CLogP | 4.0285 |
| CLogS | -5.58 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.26 |
| Relative PSA | 0.20851 |
| PolarSurfaceArea | 70.86 |
| Druglikeness | 3.3637 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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