2-[(5Z)-5-[[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Formula:C20H12N3O5FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| MolecularFormula | C20H12N3O5FS2 |
| Smiles | OC(CN(C(/C(/S1)=C/C(C(N(C=CC=C2)C2=N2)=O)=C2Oc(cccc2)c2F)=O)C1=S)=O |
| InChI | InChI=1S/C20H12FN3O5S2/c21-12-5-1-2-6-13(12)29-17-11(18(27)23-8-4-3-7-15(23)22-17)9-14-19(28)24(10-16(25)26)20(30)31-14/h1-9H,10H2,(H,25,26) |
| InChIK | KAYFNJQERJKWGX-UHFFFAOYSA-N |
| TotalMolweight | 457.461 |
| Molweight | 457.461 |
| MonoisotopicMass | 457.02024 |
| CLogP | 0.4283 |
| CLogS | -5.006 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 316.87 |
| Relative PSA | 0.39865 |
| PolarSurfaceArea | 156.9 |
| Druglikeness | -1.8442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5Z)-5-[[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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