(5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H15N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H15N3O3S3 |
| Smiles | O=C(/C(/S1)=C/C(C(N(C=CC=C2)C2=N2)=O)=C2Sc2ccccc2)N(Cc2ccco2)C1=S |
| InChI | InChI=1S/C23H15N3O3S3/c27-21-17(13-18-22(28)26(23(30)32-18)14-15-7-6-12-29-15)20(31-16-8-2-1-3-9-16)24-19-10-4-5-11-25(19)21/h1-13H,14H2 |
| InChIK | HXCAWKCTXGALOJ-UHFFFAOYSA-N |
| TotalMolweight | 477.588 |
| Molweight | 477.588 |
| MonoisotopicMass | 477.027552 |
| CLogP | 2.1052 |
| CLogS | -5.542 |
| H Acceptors | 6 |
| TotalSurfaceArea | 343.36 |
| Relative PSA | 0.35467 |
| PolarSurfaceArea | 148.81 |
| Druglikeness | 4.9822 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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