[Synonyms]
ZINC00882270
[Structure]
![ZINC00882270 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylph](/file/upload/dataimg/114/1139584.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]ethanone
Canonical SMILES: CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)C4=CC=CC=C4C
Isomeric SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)C4=CC=CC=C4C
InChI: InChI=1/C20H19N3O2S/c1-13-7-3-5-9-16(13)19-21-22-20(25-19)26-12-18(24)
23-14(2)11-15-8-4-6-10-17(15)23/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1
ZINC00882270
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 365.44876 [g/mol] |
| Molecular Formula | C20H19N3O2S |
| XLogP | 5 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 365.119798 |
| MonoIsotopic Mass | 365.119798 |
| Topological Polar Surface Area | 59.2 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 505 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 1 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(2-methylphenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]ethanone
Canonical SMILES: CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)C4=CC=CC=C4C
Isomeric SMILES: C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)C4=CC=CC=C4C
InChI: InChI=1/C20H19N3O2S/c1-13-7-3-5-9-16(13)19-21-22-20(25-19)26-12-18(24)
23-14(2)11-15-8-4-6-10-17(15)23/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1
