(5Z)-3-cyclohexyl-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H26N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclohexyl-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)-3-cyclohexyl-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H26N4O3S2 |
| Smiles | O=C(/C(/S1)=C/C2=C(NCC3OCCC3)N=C(C=CC=C3)N3C2=O)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C23H26N4O3S2/c28-21-17(13-18-22(29)27(23(31)32-18)15-7-2-1-3-8-15)20(24-14-16-9-6-12-30-16)25-19-10-4-5-11-26(19)21/h4-5,10-11,13,15-16,24H,1-3,6-9,12,14H2/t16-/m1/s1 |
| InChIK | YSFTVTLHZHBFBM-MRXNPFEDSA-N |
| TotalMolweight | 470.616 |
| Molweight | 470.616 |
| MonoisotopicMass | 470.144631 |
| CLogP | 1.1203 |
| CLogS | -5.711 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 346.2 |
| Relative PSA | 0.32247 |
| PolarSurfaceArea | 131.63 |
| Druglikeness | -0.65058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-cyclohexyl-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-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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