(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
Formula:C16H9N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C16H9N2OF3S |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc1nc(c(F)cc(F)c2)c2s1 |
| InChI | InChI=1S/C16H9F3N2OS/c17-10-4-1-9(2-5-10)3-6-14(22)20-16-21-15-12(19)7-11(18)8-13(15)23-16/h1-8H,(H,20,21,22) |
| InChIK | CLDIKYHQUGVMPO-UHFFFAOYSA-N |
| TotalMolweight | 334.32 |
| Molweight | 334.32 |
| MonoisotopicMass | 334.038767 |
| CLogP | 4.2411 |
| CLogS | -5.407 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 237.08 |
| Relative PSA | 0.23549 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -1.1841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
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