(E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
Formula:C21H20N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C21H20N2OS |
| Smiles | O=C(/C=C/c1ccccc1)N(CC1)CCC1c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C21H20N2OS/c24-20(11-10-16-6-2-1-3-7-16)23-14-12-17(13-15-23)21-22-18-8-4-5-9-19(18)25-21/h1-11,17H,12-15H2 |
| InChIK | CGHRUPPVTXDNLG-UHFFFAOYSA-N |
| TotalMolweight | 348.469 |
| Molweight | 348.469 |
| MonoisotopicMass | 348.129633 |
| CLogP | 4.5787 |
| CLogS | -4.082 |
| H Acceptors | 3 |
| TotalSurfaceArea | 270.91 |
| Relative PSA | 0.17689 |
| PolarSurfaceArea | 61.44 |
| Druglikeness | 3.733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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