(5E)-3-(furan-2-ylmethyl)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C21H20N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(furan-2-ylmethyl)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(furan-2-ylmethyl)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C21H20N4O5S2 |
| Smiles | OCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(\C(N1Cc3ccco3)=O)/SC1=S)C2=O |
| InChI | InChI=1S/C21H20N4O5S2/c26-8-11-29-10-6-22-18-15(19(27)24-7-2-1-5-17(24)23-18)12-16-20(28)25(21(31)32-16)13-14-4-3-9-30-14/h1-5,7,9,12,22,26H,6,8,10-11,13H2 |
| InChIK | UDFDCNJUEKECJH-UHFFFAOYSA-N |
| TotalMolweight | 472.545 |
| Molweight | 472.545 |
| MonoisotopicMass | 472.087511 |
| CLogP | -0.7413 |
| CLogS | -4.171 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 348.96 |
| Relative PSA | 0.3979 |
| PolarSurfaceArea | 165 |
| Druglikeness | 2.4245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | polar activated DB |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-(furan-2-ylmethyl)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(furan-2-ylmethyl)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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