(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H19N3O3S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H19N3O3S3 |
| Smiles | O=C(/C(/S1)=C/C(C(N(C=CC=C2)C2=N2)=O)=C2Sc2ccccc2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C23H19N3O3S3/c27-21-17(13-18-22(28)26(23(30)32-18)14-15-7-6-12-29-15)20(31-16-8-2-1-3-9-16)24-19-10-4-5-11-25(19)21/h1-5,8-11,13,15H,6-7,12,14H2/t15-/m1/s1 |
| InChIK | NSHXKNKAVFRJHR-OAHLLOKOSA-N |
| TotalMolweight | 481.62 |
| Molweight | 481.62 |
| MonoisotopicMass | 481.058852 |
| CLogP | 1.7982 |
| CLogS | -5.222 |
| H Acceptors | 6 |
| TotalSurfaceArea | 344.19 |
| Relative PSA | 0.34188 |
| PolarSurfaceArea | 144.9 |
| Druglikeness | 3.8735 |
| 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 |
| 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)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off