(NE)-N-[2,2-bis(1,3-benzothiazol-2-yl)-1-phenylethylidene]benzenesulfonamide
Formula:C28H19N3O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[2,2-bis(1,3-benzothiazol-2-yl)-1-phenylethylidene]benzenesulfonamide is not a drug-like molecule.
| MolName | (NE)-N-[2,2-bis(1,3-benzothiazol-2-yl)-1-phenylethylidene]benzenesulfonamide |
| MolecularFormula | C28H19N3O2S3 |
| Smiles | O=S(c1ccccc1)(/N=C(\C(c1nc(cccc2)c2s1)c1nc(cccc2)c2s1)/c1ccccc1)=O |
| InChI | InChI=1S/C28H19N3O2S3/c32-36(33,20-13-5-2-6-14-20)31-26(19-11-3-1-4-12-19)25(27-29-21-15-7-9-17-23(21)34-27)28-30-22-16-8-10-18-24(22)35-28/h1-18,25H |
| InChIK | IXFQKOWRQCIQMN-UHFFFAOYSA-N |
| TotalMolweight | 525.676 |
| Molweight | 525.676 |
| MonoisotopicMass | 525.063937 |
| CLogP | 5.7173 |
| CLogS | -6.204 |
| H Acceptors | 5 |
| TotalSurfaceArea | 375.19 |
| Relative PSA | 0.27386 |
| PolarSurfaceArea | 137.14 |
| Druglikeness | -3.9039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.36111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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