(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[(4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H20N4O4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[(4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[(4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H20N4O4S3 |
| Smiles | O=C(/C(/S1)=C/C2=C(N3CCSCC3)N=C(C=CC=C3)N3C2=O)N(Cc(cc2)cc3c2OCO3)C1=S |
| InChI | InChI=1S/C24H20N4O4S3/c29-22-16(21(26-7-9-34-10-8-26)25-20-3-1-2-6-27(20)22)12-19-23(30)28(24(33)35-19)13-15-4-5-17-18(11-15)32-14-31-17/h1-6,11-12H,7-10,13-14H2 |
| InChIK | YYUKZLYLJUGZIF-UHFFFAOYSA-N |
| TotalMolweight | 524.645 |
| Molweight | 524.645 |
| MonoisotopicMass | 524.064666 |
| CLogP | 1.4367 |
| CLogS | -5.877 |
| H Acceptors | 8 |
| TotalSurfaceArea | 366.01 |
| Relative PSA | 0.35851 |
| PolarSurfaceArea | 157.37 |
| Druglikeness | 5.5394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[(4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[(4-oxo-2-thiomorpholin-4-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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