N-[(5R)-4-acetyl-5-[(4-bromophenyl)sulfonylmethyl]-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
Formula:C14H16N3O4BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(5R)-4-acetyl-5-[(4-bromophenyl)sulfonylmethyl]-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(5R)-4-acetyl-5-[(4-bromophenyl)sulfonylmethyl]-5-methyl-1,3,4-thiadiazol-2-yl]acetamide |
| MolecularFormula | C14H16N3O4BrS2 |
| Smiles | C[C@]1(CS(c(cc2)ccc2Br)(=O)=O)SC(NC(C)=O)=NN1C(C)=O |
| InChI | InChI=1S/C14H16BrN3O4S2/c1-9(19)16-13-17-18(10(2)20)14(3,23-13)8-24(21,22)12-6-4-11(15)5-7-12/h4-7H,8H2,1-3H3,(H,16,17,19)/t14-/m1/s1 |
| InChIK | BLZGCWQSLYVNMK-CQSZACIVSA-N |
| TotalMolweight | 434.334 |
| Molweight | 434.334 |
| MonoisotopicMass | 432.976558 |
| CLogP | 2.1945 |
| CLogS | -5.07 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 265.64 |
| Relative PSA | 0.37144 |
| PolarSurfaceArea | 129.59 |
| Druglikeness | 0.49452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - N-[(5R)-4-acetyl-5-[(4-bromophenyl)sulfonylmethyl]-5-methyl-1,3,4-thiadiazol-2-yl]acetamide | 2 - N-[(5R)-4-acetyl-5-[(4-bromophenyl)sulfonylmethyl]-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
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