(3E)-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one
Formula:C22H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C22H19N3O2S |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1 |
| InChI | InChI=1S/C22H19N3O2S/c26-21-17(16-8-4-5-9-18(16)23-21)14-19-20(15-6-2-1-3-7-15)24-22(28-19)25-10-12-27-13-11-25/h1-9,14H,10-13H2,(H,23,26) |
| InChIK | HBBZRWATMVEWOS-UHFFFAOYSA-N |
| TotalMolweight | 389.478 |
| Molweight | 389.478 |
| MonoisotopicMass | 389.119797 |
| CLogP | 3.3924 |
| CLogS | -5.093 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 289.74 |
| Relative PSA | 0.23946 |
| PolarSurfaceArea | 82.7 |
| Druglikeness | 4.8783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (3E)-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one | 2 - (3E)-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]-1H-indol-2-one
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