(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C21H24N4O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-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-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C21H24N4O5S2 |
| Smiles | OCCOCCNC(N=C1N2C=CC=C1)=C(/C=C(/C(N1CC3OCCC3)=O)\SC1=S)C2=O |
| InChI | InChI=1S/C21H24N4O5S2/c26-8-11-29-10-6-22-18-15(19(27)24-7-2-1-5-17(24)23-18)12-16-20(28)25(21(31)32-16)13-14-4-3-9-30-14/h1-2,5,7,12,14,22,26H,3-4,6,8-11,13H2/t14-/m1/s1 |
| InChIK | OSXIFPKOZMJNOB-CQSZACIVSA-N |
| TotalMolweight | 476.577 |
| Molweight | 476.577 |
| MonoisotopicMass | 476.118811 |
| CLogP | -1.0483 |
| CLogS | -3.851 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 349.79 |
| Relative PSA | 0.3852 |
| PolarSurfaceArea | 161.09 |
| Druglikeness | 1.3636 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | polar activated DB |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 14 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-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