(5Z)-3-[(2-chlorophenyl)methyl]-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H19N4O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(2-chlorophenyl)methyl]-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(2-chlorophenyl)methyl]-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H19N4O2ClS2 |
| Smiles | O=C(/C(/S1)=C/C2=C(N3CCCC3)N=C(C=CC=C3)N3C2=O)N(Cc(cccc2)c2Cl)C1=S |
| InChI | InChI=1S/C23H19ClN4O2S2/c24-17-8-2-1-7-15(17)14-28-22(30)18(32-23(28)31)13-16-20(26-10-5-6-11-26)25-19-9-3-4-12-27(19)21(16)29/h1-4,7-9,12-13H,5-6,10-11,14H2 |
| InChIK | YESYMXWSXLIAPB-UHFFFAOYSA-N |
| TotalMolweight | 483.015 |
| Molweight | 483.015 |
| MonoisotopicMass | 482.063793 |
| CLogP | 2.3464 |
| CLogS | -5.835 |
| H Acceptors | 6 |
| TotalSurfaceArea | 343.68 |
| Relative PSA | 0.27272 |
| PolarSurfaceArea | 113.61 |
| Druglikeness | 5.3874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(2-chlorophenyl)methyl]-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(2-chlorophenyl)methyl]-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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