(5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H18N3O4FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H18N3O4FS2 |
| Smiles | O=C(/C(/S1)=C/C(C(N(C=CC=C2)C2=N2)=O)=C2Oc(cc2)ccc2F)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C23H18FN3O4S2/c24-14-6-8-15(9-7-14)31-20-17(21(28)26-10-2-1-5-19(26)25-20)12-18-22(29)27(23(32)33-18)13-16-4-3-11-30-16/h1-2,5-10,12,16H,3-4,11,13H2/t16-/m1/s1 |
| InChIK | IHCODCPUZZVGDB-MRXNPFEDSA-N |
| TotalMolweight | 483.543 |
| Molweight | 483.543 |
| MonoisotopicMass | 483.072275 |
| CLogP | 1.6571 |
| CLogS | -5.916 |
| H Acceptors | 7 |
| TotalSurfaceArea | 343.05 |
| Relative PSA | 0.32118 |
| PolarSurfaceArea | 128.83 |
| Druglikeness | 2.4689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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