(NE)-4-bromo-N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)benzenesulfonamide
Formula:C21H21N2O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-bromo-N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)benzenesulfonamide is not a drug-like molecule.
| MolName | (NE)-4-bromo-N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)benzenesulfonamide |
| MolecularFormula | C21H21N2O2BrS2 |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C1/SC=C(c2ccccc2)N1C1CCCCC1)=O |
| InChI | InChI=1S/C21H21BrN2O2S2/c22-17-11-13-19(14-12-17)28(25,26)23-21-24(18-9-5-2-6-10-18)20(15-27-21)16-7-3-1-4-8-16/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2 |
| InChIK | OBIIYJRHVDDTKB-UHFFFAOYSA-N |
| TotalMolweight | 477.446 |
| Molweight | 477.446 |
| MonoisotopicMass | 476.022779 |
| CLogP | 5.749 |
| CLogS | -5.959 |
| H Acceptors | 4 |
| TotalSurfaceArea | 310 |
| Relative PSA | 0.19719 |
| PolarSurfaceArea | 83.42 |
| Druglikeness | -3.9776 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-4-bromo-N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)benzenesulfonamide | 2 - (NE)-4-bromo-N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off