2-Phenoxathiin-2-ylquinoxaline | SBID = 416 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 60.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 252.6 | ||
| Sum Formula: | C20H12N2OS | ||
| M / g/mol: | 328.389 | ||
| Complexity: | 447.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: typical guest
- Name: 2-Phenoxathiin-2-ylquinoxaline
- Preferred Abbreviation: 2-Phenoxathiin-2-ylquinoxaline
- IUPAC Name: 2-phenoxathiin-2-ylquinoxaline
- CAS:
- CID: 403358
- InChiKey: QNHICTKUHKZFSE-UHFFFAOYSA-N
- InChi: InChI=1S/C20H12N2OS/c1-2-6-15-14(5-1)21-12-16(22-15)13-9-10-18-20(11-13)24-19-8-4-3-7-17(19)23-18/h1-12H
- CanoSmiles: C1=CC=C2C(=C1)N=CC(=N2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4
- IsoSmiles: C1=CC=C2C(=C1)N=CC(=N2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4
