(NE)-4-bromo-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
Formula:C21H21N2O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-bromo-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide is not a drug-like molecule.
| MolName | (NE)-4-bromo-N-(3-cyclohexyl-4-oxo-5-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide |
| MolecularFormula | C21H21N2O3BrS2 |
| Smiles | O=C(C(c1ccccc1)S1)N(C2CCCCC2)/C1=N\S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C21H21BrN2O3S2/c22-16-11-13-18(14-12-16)29(26,27)23-21-24(17-9-5-2-6-10-17)20(25)19(28-21)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17,19H,2,5-6,9-10H2/t19-/m0/s1 |
| InChIK | BPZXCKKSXMHJCX-IBGZPJMESA-N |
| TotalMolweight | 493.445 |
| Molweight | 493.445 |
| MonoisotopicMass | 492.017694 |
| CLogP | 5.4968 |
| CLogS | -5.583 |
| H Acceptors | 5 |
| TotalSurfaceArea | 315.54 |
| Relative PSA | 0.23506 |
| PolarSurfaceArea | 100.49 |
| Druglikeness | -1.0861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
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