Basic information
- CAS
52899-80-6- Standard SMILES
CCCCCCCCC1SC1CCCCCCCC(=O)N(C)c1ccccc1- InChIKey
GLJRFUSQOBKCMZ-UHFFFAOYSA-N- Molecular formula
- C25H41NOS
- Average molar mass
- 403.7 g/mol
- Monoisotopic mass
- 403.2908861
Names & identifiers
- Preferred name
- N-methyl-8-(3-octylthiiran-2-yl)-N-phenyloctanamide
- IUPAC
- N-methyl-8-(3-octylthiiran-2-yl)-N-phenyloctanamide
Names & synonyms
NSC154815NSC-154815
Database identifiers
- CAS
52899-80-6- PubChem CID
- 290679
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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