2-(Benzenesulfonyl)-7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Basic information
- CAS
85645-28-9- Standard SMILES
COc1ccc2c3c([nH]c2c1)C(C)N(S(=O)(=O)c1ccccc1)CC3- InChIKey
AXBNKJXFJNWTNF-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.11946368
Names & identifiers
- Preferred name
- 2-(Benzenesulfonyl)-7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
- IUPAC
- 2-(benzenesulfonyl)-7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Names & synonyms
85645-28-9NSC3562192-(benzenesulfonyl)-7-methoxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indoleHEJ-6DTXSID70320202NSC-3562192-(Benzenesulfonyl)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Database identifiers
- CAS
85645-28-9- PubChem CID
- 337605
- DTXSID
DTXSID70320202
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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