6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Formula:C23H22N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is a drug-like molecule.
| MolName | 6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| MolecularFormula | C23H22N4O5S2 |
| Smiles | OC(CCCCCN(C(/C(/S1)=C/C2=C(NCc3ccco3)N=C(C=CC=C3)N3C2=O)=O)C1=S)=O |
| InChI | InChI=1S/C23H22N4O5S2/c28-19(29)9-2-1-4-11-27-22(31)17(34-23(27)33)13-16-20(24-14-15-7-6-12-32-15)25-18-8-3-5-10-26(18)21(16)30/h3,5-8,10,12-13,24H,1-2,4,9,11,14H2,(H,28,29) |
| InChIK | VXLQFCCUWRYGDS-UHFFFAOYSA-N |
| TotalMolweight | 498.583 |
| Molweight | 498.583 |
| MonoisotopicMass | 498.103161 |
| CLogP | 0.7602 |
| CLogS | -5.312 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 370.47 |
| Relative PSA | 0.383 |
| PolarSurfaceArea | 172.84 |
| Druglikeness | -3.8776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Amides | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
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