Basic information
- Standard SMILES
COc1ccc(C(COS(C)(=O)=O)Cc2cc3cc(Br)ccc3s2)cc1- InChIKey
QVAMVWKWDQMHIN-UHFFFAOYSA-N- Molecular formula
- C19H19BrO4S2
- Average molar mass
- 455.4 g/mol
Names & identifiers
- Preferred name
- 3-(5-Bromobenzo[b]thien-2-yl)-2-(4-methoxyphenyl)propyl methanesulfonate
- IUPAC
- [3-(5-bromo-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)propyl] methanesulfonate
Names & synonyms
SCHEMBL7387447QVAMVWKWDQMHIN-UHFFFAOYSA-N3-(5-bromobenzo[b]thien-2-yl)-2-(4-methoxyphenyl)propyl methanesulfonate
Database identifiers
- PubChem CID
- 21844314
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Related reactions
4 records
Compound notes
Loading…