(5Z)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H14N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H14N4O3S2 |
| Smiles | OCCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1)=O)\SC1=S)C2=O |
| InChI | InChI=1S/C15H14N4O3S2/c20-7-3-5-16-12-9(8-10-13(21)18-15(23)24-10)14(22)19-6-2-1-4-11(19)17-12/h1-2,4,6,8,16,20H,3,5,7H2,(H,18,21,23) |
| InChIK | FTZINFSJGJVNTL-UHFFFAOYSA-N |
| TotalMolweight | 362.433 |
| Molweight | 362.433 |
| MonoisotopicMass | 362.050731 |
| CLogP | -1.0541 |
| CLogS | -3.877 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 263.15 |
| Relative PSA | 0.46608 |
| PolarSurfaceArea | 151.42 |
| Druglikeness | 3.5213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 6 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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