(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H16N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H16N4O3S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(NCC3OCCC3)N=C(C=CC=C3)N3C2=O)NC1=S |
| InChI | InChI=1S/C17H16N4O3S2/c22-15-12(26-17(25)20-15)8-11-14(18-9-10-4-3-7-24-10)19-13-5-1-2-6-21(13)16(11)23/h1-2,5-6,8,10,18H,3-4,7,9H2,(H,20,22,25)/t10-/m1/s1 |
| InChIK | BWOCIMCBEVYQRH-SNVBAGLBSA-N |
| TotalMolweight | 388.471 |
| Molweight | 388.471 |
| MonoisotopicMass | 388.066381 |
| CLogP | -0.6883 |
| CLogS | -4.499 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 279.56 |
| Relative PSA | 0.42764 |
| PolarSurfaceArea | 140.42 |
| Druglikeness | 3.8522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 8 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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