Basic information
- Standard SMILES
O=S(=O)(c1ccc2c(c1)CN(CCCCl)CC2)N1CCOCC1- InChIKey
GNVAQEPALAVYFK-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O3S
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.1117915
Names & identifiers
- Preferred name
- 2-(3-Chloropropyl)-7-(morpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 4-[[2-(3-chloropropyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]morpholine
Names & synonyms
SCHEMBL4387090GNVAQEPALAVYFK-UHFFFAOYSA-N2-(3-Chloropropyl)-7-(morpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 18176511
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
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