5-morpholin-4-yl-2-[(E)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
Formula:C17H18N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-morpholin-4-yl-2-[(E)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-morpholin-4-yl-2-[(E)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile |
| MolecularFormula | C17H18N4O4S2 |
| Smiles | N#Cc1c(N2CCOCC2)oc(/C=C(\C(N2CC3OCCC3)=O)/SC2=S)n1 |
| InChI | InChI=1S/C17H18N4O4S2/c18-9-12-16(20-3-6-23-7-4-20)25-14(19-12)8-13-15(22)21(17(26)27-13)10-11-2-1-5-24-11/h8,11H,1-7,10H2/t11-/m1/s1 |
| InChIK | IQHXSPOPTGJIMU-LLVKDONJSA-N |
| TotalMolweight | 406.486 |
| Molweight | 406.486 |
| MonoisotopicMass | 406.076946 |
| CLogP | 0.0688 |
| CLogS | -3.981 |
| H Acceptors | 8 |
| TotalSurfaceArea | 298.76 |
| Relative PSA | 0.41595 |
| PolarSurfaceArea | 149.22 |
| Druglikeness | -2.9614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 5-morpholin-4-yl-2-[(E)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile | 2 - 5-morpholin-4-yl-2-[(E)-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
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