N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethenyl]benzamide
Formula:C22H15N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethenyl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethenyl]benzamide |
| MolecularFormula | C22H15N2OBrS |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(cccc2)c2s1)=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C22H15BrN2OS/c23-17-12-10-15(11-13-17)14-19(24-21(26)16-6-2-1-3-7-16)22-25-18-8-4-5-9-20(18)27-22/h1-14H,(H,24,26) |
| InChIK | RQMTUTZPMIGREJ-UHFFFAOYSA-N |
| TotalMolweight | 435.344 |
| Molweight | 435.344 |
| MonoisotopicMass | 434.008844 |
| CLogP | 5.3481 |
| CLogS | -5.827 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 294.63 |
| Relative PSA | 0.18949 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.4428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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