(5Z)-3-cyclopentyl-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H20N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclopentyl-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclopentyl-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H20N4O3S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(NCc3ccco3)N=C(C=CC=C3)N3C2=O)N(C2CCCC2)C1=S |
| InChI | InChI=1S/C22H20N4O3S2/c27-20-16(12-17-21(28)26(22(30)31-17)14-6-1-2-7-14)19(23-13-15-8-5-11-29-15)24-18-9-3-4-10-25(18)20/h3-5,8-12,14,23H,1-2,6-7,13H2 |
| InChIK | VKECBDAQCCBXAG-UHFFFAOYSA-N |
| TotalMolweight | 452.558 |
| Molweight | 452.558 |
| MonoisotopicMass | 452.097681 |
| CLogP | 1.0853 |
| CLogS | -5.761 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 331.61 |
| Relative PSA | 0.34905 |
| PolarSurfaceArea | 135.54 |
| Druglikeness | 2.1418 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-cyclopentyl-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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