(5Z)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H22N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H22N4O2S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(N3CCCC3)N=C(C=CC=C3)N3C2=O)N(CCc2ccccc2)C1=S |
| InChI | InChI=1S/C24H22N4O2S2/c29-22-18(21(26-12-6-7-13-26)25-20-10-4-5-14-27(20)22)16-19-23(30)28(24(31)32-19)15-11-17-8-2-1-3-9-17/h1-5,8-10,14,16H,6-7,11-13,15H2 |
| InChIK | WBJQZBXXFDKGRW-UHFFFAOYSA-N |
| TotalMolweight | 462.597 |
| Molweight | 462.597 |
| MonoisotopicMass | 462.118416 |
| CLogP | 2.1705 |
| CLogS | -5.211 |
| H Acceptors | 6 |
| TotalSurfaceArea | 342.02 |
| Relative PSA | 0.27405 |
| PolarSurfaceArea | 113.61 |
| Druglikeness | 5.3368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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