(5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C21H18N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[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-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C21H18N4O3S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(N3CCCC3)N=C(C=CC=C3)N3C2=O)N(Cc2ccco2)C1=S |
| InChI | InChI=1S/C21H18N4O3S2/c26-19-15(12-16-20(27)25(21(29)30-16)13-14-6-5-11-28-14)18(23-8-3-4-9-23)22-17-7-1-2-10-24(17)19/h1-2,5-7,10-12H,3-4,8-9,13H2 |
| InChIK | JYMMIXYVSVTCDA-UHFFFAOYSA-N |
| TotalMolweight | 438.531 |
| Molweight | 438.531 |
| MonoisotopicMass | 438.082031 |
| CLogP | 0.9291 |
| CLogS | -4.781 |
| H Acceptors | 7 |
| TotalSurfaceArea | 317.95 |
| Relative PSA | 0.33917 |
| PolarSurfaceArea | 126.75 |
| Druglikeness | 5.1278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off