2-Ethoxy-2a-methyl-7b-phenyl-[1]benzothiolo[3,2-b]azete
Basic information
- CAS
84538-74-9- Standard SMILES
CCOC1=NC2(c3ccccc3)c3ccccc3SC12C- InChIKey
VPIOSDWAKFBJCD-UHFFFAOYSA-N- Molecular formula
- C18H17NOS
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.10308534
Names & identifiers
- Preferred name
- 2-Ethoxy-2a-methyl-7b-phenyl-[1]benzothiolo[3,2-b]azete
- IUPAC
- 2-ethoxy-2a-methyl-7b-phenyl-[1]benzothiolo[3,2-b]azete
Names & synonyms
84538-74-92-ethoxy-2a-methyl-7b-phenyl-[1]benzothiolo[3,2-b]azeteNSC358260DTXSID50320346NSC-3582602-Ethoxy-2a-methyl-7b-phenyl-2a,7b-dihydro[1]benzothieno[3,2-b]azete
Database identifiers
- CAS
84538-74-9- PubChem CID
- 337950
- DTXSID
DTXSID50320346
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
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Compound notes
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