(NE)-N-[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-ylidene]-5-chlorothiophene-2-sulfonamide
Formula:C19H12N2O2BrClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-ylidene]-5-chlorothiophene-2-sulfonamide is not a drug-like molecule.
| MolName | (NE)-N-[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-ylidene]-5-chlorothiophene-2-sulfonamide |
| MolecularFormula | C19H12N2O2BrClS3 |
| Smiles | O=S(c(s1)ccc1Cl)(/N=C1/SC=C(c(cc2)ccc2Br)N1c1ccccc1)=O |
| InChI | InChI=1S/C19H12BrClN2O2S3/c20-14-8-6-13(7-9-14)16-12-26-19(23(16)15-4-2-1-3-5-15)22-28(24,25)18-11-10-17(21)27-18/h1-12H |
| InChIK | SMFBAHFDKOAMCS-UHFFFAOYSA-N |
| TotalMolweight | 511.871 |
| Molweight | 511.871 |
| MonoisotopicMass | 509.893276 |
| CLogP | 6.4883 |
| CLogS | -6.9 |
| H Acceptors | 4 |
| TotalSurfaceArea | 313.32 |
| Relative PSA | 0.26009 |
| PolarSurfaceArea | 111.66 |
| Druglikeness | 0.98028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NE)-N-[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-ylidene]-5-chlorothiophene-2-sulfonamide | 2 - (NE)-N-[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2-ylidene]-5-chlorothiophene-2-sulfonamide
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