(5Z)-5-[[4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C28H24N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[[4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C28H24N4O2S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(NCCc3ccccc3)N=C(C=CC=C3)N3C2=O)N(CCc2ccccc2)C1=S |
| InChI | InChI=1S/C28H24N4O2S2/c33-26-22(19-23-27(34)32(28(35)36-23)18-15-21-11-5-2-6-12-21)25(30-24-13-7-8-17-31(24)26)29-16-14-20-9-3-1-4-10-20/h1-13,17,19,29H,14-16,18H2 |
| InChIK | PNDRZIXOJWHEMM-UHFFFAOYSA-N |
| TotalMolweight | 512.657 |
| Molweight | 512.657 |
| MonoisotopicMass | 512.134066 |
| CLogP | 2.9612 |
| CLogS | -6.322 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 388.92 |
| Relative PSA | 0.26134 |
| PolarSurfaceArea | 122.4 |
| Druglikeness | 5.7193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-oxo-2-(2-phenylethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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