N-(2-bromo-4,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
Formula:C14H14N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromo-4,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-(2-bromo-4,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide |
| MolecularFormula | C14H14N3O2BrS |
| Smiles | Cc(c(C)c1)cc(NC(CSC(N2)=NC=CC2=O)=O)c1Br |
| InChI | InChI=1S/C14H14BrN3O2S/c1-8-5-10(15)11(6-9(8)2)17-13(20)7-21-14-16-4-3-12(19)18-14/h3-6H,7H2,1-2H3,(H,17,20)(H,16,18,19) |
| InChIK | QFLJMCKVPAKMQB-UHFFFAOYSA-N |
| TotalMolweight | 368.254 |
| Molweight | 368.254 |
| MonoisotopicMass | 366.999008 |
| CLogP | 1.8122 |
| CLogS | -4.665 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 242.05 |
| Relative PSA | 0.32225 |
| PolarSurfaceArea | 95.86 |
| Druglikeness | -1.6335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-(2-bromo-4,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide | 2 - N-(2-bromo-4,5-dimethylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
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