1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Formula:C19H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is a drug-like molecule.
| MolName | 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone |
| MolecularFormula | C19H17N3O2S |
| Smiles | C[C@@H](C1)N(C(CSc2nnc(-c3ccccc3)o2)=O)c2c1cccc2 |
| InChI | InChI=1S/C19H17N3O2S/c1-13-11-15-9-5-6-10-16(15)22(13)17(23)12-25-19-21-20-18(24-19)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1 |
| InChIK | NVDFFFFOHRMZBZ-ZDUSSCGKSA-N |
| TotalMolweight | 351.429 |
| Molweight | 351.429 |
| MonoisotopicMass | 351.104147 |
| CLogP | 3.7986 |
| CLogS | -5.871 |
| H Acceptors | 5 |
| TotalSurfaceArea | 264.31 |
| Relative PSA | 0.26533 |
| PolarSurfaceArea | 84.53 |
| Druglikeness | 4.5233 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone | 2 - 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
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