(3E)-3-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1H-indol-2-one
Formula:C22H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C22H20N4OS |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1cnc(N(CC2)CCN2c2ccccc2)s1 |
| InChI | InChI=1S/C22H20N4OS/c27-21-19(18-8-4-5-9-20(18)24-21)14-17-15-23-22(28-17)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,24,27) |
| InChIK | NNXSWAWCXOVXGD-UHFFFAOYSA-N |
| TotalMolweight | 388.494 |
| Molweight | 388.494 |
| MonoisotopicMass | 388.135781 |
| CLogP | 3.2468 |
| CLogS | -4.662 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.04 |
| Relative PSA | 0.21697 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 7.4875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| 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 | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (3E)-3-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1H-indol-2-one | 2 - (3E)-3-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1H-indol-2-one
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