(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
Formula:C25H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C25H19N3O2S |
| Smiles | O=C(/C(/S1)=C/c2cccn2-c2ccccc2)N(Cc2ccco2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C25H19N3O2S/c29-24-23(17-21-13-7-15-27(21)20-11-5-2-6-12-20)31-25(26-19-9-3-1-4-10-19)28(24)18-22-14-8-16-30-22/h1-17H,18H2 |
| InChIK | QPCAXJZBLTYCSM-UHFFFAOYSA-N |
| TotalMolweight | 425.511 |
| Molweight | 425.511 |
| MonoisotopicMass | 425.119797 |
| CLogP | 4.0285 |
| CLogS | -7.347 |
| H Acceptors | 5 |
| TotalSurfaceArea | 324.91 |
| Relative PSA | 0.20489 |
| PolarSurfaceArea | 76.04 |
| Druglikeness | 4.3901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off