(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)benzenesulfonamide
Formula:C21H16N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)benzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)benzenesulfonamide |
| MolecularFormula | C21H16N2O2S2 |
| Smiles | O=S(c1ccccc1)(/N=C1/SC=C(c2ccccc2)N1c1ccccc1)=O |
| InChI | InChI=1S/C21H16N2O2S2/c24-27(25,19-14-8-3-9-15-19)22-21-23(18-12-6-2-7-13-18)20(16-26-21)17-10-4-1-5-11-17/h1-16H |
| InChIK | HRSLZGKNFQUVRR-UHFFFAOYSA-N |
| TotalMolweight | 392.502 |
| Molweight | 392.502 |
| MonoisotopicMass | 392.065318 |
| CLogP | 4.9633 |
| CLogS | -5.396 |
| H Acceptors | 4 |
| TotalSurfaceArea | 283.33 |
| Relative PSA | 0.21576 |
| PolarSurfaceArea | 83.42 |
| Druglikeness | -4.2092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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