(5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C21H22N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C21H22N4O4S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(N3CCOCC3)N=C(C=CC=C3)N3C2=O)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C21H22N4O4S2/c26-19-15(12-16-20(27)25(21(30)31-16)13-14-4-3-9-29-14)18(23-7-10-28-11-8-23)22-17-5-1-2-6-24(17)19/h1-2,5-6,12,14H,3-4,7-11,13H2/t14-/m1/s1 |
| InChIK | QVDKACPSONYVOT-CQSZACIVSA-N |
| TotalMolweight | 458.562 |
| Molweight | 458.562 |
| MonoisotopicMass | 458.108246 |
| CLogP | -0.1999 |
| CLogS | -3.842 |
| H Acceptors | 8 |
| TotalSurfaceArea | 328.78 |
| Relative PSA | 0.34592 |
| PolarSurfaceArea | 132.07 |
| Druglikeness | 3.4718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off