(2Z)-3-morpholin-4-yl-2-[4-[5-(4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-oxopropanenitrile
Formula:C26H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-3-morpholin-4-yl-2-[4-[5-(4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-oxopropanenitrile is not a drug-like molecule.
| MolName | (2Z)-3-morpholin-4-yl-2-[4-[5-(4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-oxopropanenitrile |
| MolecularFormula | C26H20N4O5S |
| Smiles | N#C/C(/C(N1CCOCC1)=O)=C1/SC=C(c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)N1c1ccccc1 |
| InChI | InChI=1S/C26H20N4O5S/c27-16-21(25(31)28-12-14-34-15-13-28)26-29(19-4-2-1-3-5-19)22(17-36-26)24-11-10-23(35-24)18-6-8-20(9-7-18)30(32)33/h1-11,17H,12-15H2 |
| InChIK | KXMAALYNWASPCR-UHFFFAOYSA-N |
| TotalMolweight | 500.534 |
| Molweight | 500.534 |
| MonoisotopicMass | 500.115441 |
| CLogP | 3.7818 |
| CLogS | -6.103 |
| H Acceptors | 9 |
| TotalSurfaceArea | 369.36 |
| Relative PSA | 0.28622 |
| PolarSurfaceArea | 140.83 |
| Druglikeness | -4.2687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-3-morpholin-4-yl-2-[4-[5-(4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-oxopropanenitrile | 2 - (2Z)-3-morpholin-4-yl-2-[4-[5-(4-nitrophenyl)furan-2-yl]-3-phenyl-1,3-thiazol-2-ylidene]-3-oxopropanenitrile
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