(5Z)-3-cyclopentyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C21H22N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclopentyl-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-cyclopentyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C21H22N4O2S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(N3CCCC3)N=C(C=CC=C3)N3C2=O)N(C2CCCC2)C1=S |
| InChI | InChI=1S/C21H22N4O2S2/c26-19-15(13-16-20(27)25(21(28)29-16)14-7-1-2-8-14)18(23-10-5-6-11-23)22-17-9-3-4-12-24(17)19/h3-4,9,12-14H,1-2,5-8,10-11H2 |
| InChIK | ADSQKXXBECMLGO-UHFFFAOYSA-N |
| TotalMolweight | 426.564 |
| Molweight | 426.564 |
| MonoisotopicMass | 426.118416 |
| CLogP | 1.536 |
| CLogS | -5.08 |
| H Acceptors | 6 |
| TotalSurfaceArea | 308.78 |
| Relative PSA | 0.30355 |
| PolarSurfaceArea | 113.61 |
| Druglikeness | 3.7647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-cyclopentyl-5-[(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-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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